(2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;N-ethyl-N-propan-2-ylpropan-2-amine;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(tetradecanoylamino)hexanoic acid;tetradecanoyl chloride

C78H120ClN5O10 — CID 159293590

IUPAC(2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;N-ethyl-N-propan-2-ylpropan-2-amine;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(tetradecanoylamino)hexanoic acid;tetradecanoyl chloride
SMILESCCCCCCCCCCCCCC(=O)Cl.CCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.CCN(C(C)C)C(C)C.NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C35H50N2O5.C21H24N2O4.C14H27ClO.C8H19N/c1-2-3-4-5-6-7-8-9-10-11-12-24-33(38)36-25-18-17-23-32(34(39)40)37-35(41)42-26-31-29-21-15-13-19-27(29)28-20-14-16-22-30(28)31;22-12-6-5-11-19(20(24)25)23-21(26)27-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18;1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-6-9(7(2)3)8(4)5/h13-16,19-22,31-32H,2-12,17-18,23-26H2,1H3,(H,36,38)(H,37,41)(H,39,40);1-4,7-10,18-19H,5-6,11-13,22H2,(H,23,26)(H,24,25);2-13H2,1H3;7-8H,6H2,1-5H3/t32-;19-;;/m00../s1
InChIKeyLAKXHDFWCRFQRJ-MDAXZQCXSA-N
MW1323.30 g/mol
LogP18.65
Rot. Bonds44

About (2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;N-ethyl-N-propan-2-ylpropan-2-amine;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(tetradecanoylamino)hexanoic acid;tetradecanoyl chloride

(2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;N-ethyl-N-propan-2-ylpropan-2-amine;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(tetradecanoylamino)hexanoic acid;tetradecanoyl chloride (PubChem CID 159293590) has the molecular formula C78H120ClN5O10 and a molecular weight of 1323.30 g/mol. Its IUPAC name is (2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;N-ethyl-N-propan-2-ylpropan-2-amine;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(tetradecanoylamino)hexanoic acid;tetradecanoyl chloride.

Molecular Properties

Compound Name(2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;N-ethyl-N-propan-2-ylpropan-2-amine;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(tetradecanoylamino)hexanoic acid;tetradecanoyl chloride
PubChem CID159293590
Molecular FormulaC78H120ClN5O10
Molecular Weight1323.30 g/mol
Exact Mass1321.87
IUPAC Name(2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;N-ethyl-N-propan-2-ylpropan-2-amine;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(tetradecanoylamino)hexanoic acid;tetradecanoyl chloride
SMILESCCCCCCCCCCCCCC(=O)Cl.CCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.CCN(C(C)C)C(C)C.NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C35H50N2O5.C21H24N2O4.C14H27ClO.C8H19N/c1-2-3-4-5-6-7-8-9-10-11-12-24-33(38)36-25-18-17-23-32(34(39)40)37-35(41)42-26-31-29-21-15-13-19-27(29)28-20-14-16-22-30(28)31;22-12-6-5-11-19(20(24)25)23-21(26)27-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18;1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-6-9(7(2)3)8(4)5/h13-16,19-22,31-32H,2-12,17-18,23-26H2,1H3,(H,36,38)(H,37,41)(H,39,40);1-4,7-10,18-19H,5-6,11-13,22H2,(H,23,26)(H,24,25);2-13H2,1H3;7-8H,6H2,1-5H3/t32-;19-;;/m00../s1
InChIKeyLAKXHDFWCRFQRJ-MDAXZQCXSA-N
XLogP18.65
TPSA226.69 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds44
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001323.30
LogP ≤ 518.65
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;N-ethyl-N-propan-2-ylpropan-2-amine;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(tetradecanoylamino)hexanoic acid;tetradecanoyl chloride with MolForge

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Related Compounds

(2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;1-O-tert-butyl 5-O-(2,3,4,5,6-pentafluorophenyl) (2S)-2-(tetradecanoylamino)pentanedioate;N-ethyl-N-propan-2-ylpropan-2-amine;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[[(4S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-(tetradecanoylamino)pentanoyl]amino]hexanoic acid
CID 158144314
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(hexadecanoylamino)pentanoic acid
CID 51340573
2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(hexadecanoylamino)butanoic acid
CID 138110096
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)dodecanoic acid
CID 118098305
2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]hexanoic acid
CID 155885833
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(6-phenylhexanoylamino)hexanoic acid
CID 71530257
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoic acid;formamide
CID 131676586
(2S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(pentadecanoylamino)butanoic acid
CID 169217785
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
CID 2756111
6-acetamido-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
CID 53394943
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(methylamino)hexanoic acid;hydrochloride
CID 175987361
9H-fluoren-9-ylmethyl N-[(2S)-6-(hexadecanoylamino)-1-[[1-[[2-hydroxy-2-(methylamino)ethyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxohexan-2-yl]carbamate
CID 146209755

Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;N-ethyl-N-propan-2-ylpropan-2-amine;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(tetradecanoylamino)hexanoic acid;tetradecanoyl chloride?
The IUPAC name of (2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;N-ethyl-N-propan-2-ylpropan-2-amine;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(tetradecanoylamino)hexanoic acid;tetradecanoyl chloride (CID 159293590) is (2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;N-ethyl-N-propan-2-ylpropan-2-amine;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(tetradecanoylamino)hexanoic acid;tetradecanoyl chloride.
What is the SMILES notation for (2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;N-ethyl-N-propan-2-ylpropan-2-amine;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(tetradecanoylamino)hexanoic acid;tetradecanoyl chloride?
The canonical SMILES for (2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;N-ethyl-N-propan-2-ylpropan-2-amine;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(tetradecanoylamino)hexanoic acid;tetradecanoyl chloride is CCCCCCCCCCCCCC(=O)Cl.CCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.CCN(C(C)C)C(C)C.NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.
What is the InChIKey of (2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;N-ethyl-N-propan-2-ylpropan-2-amine;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(tetradecanoylamino)hexanoic acid;tetradecanoyl chloride?
The InChIKey is LAKXHDFWCRFQRJ-MDAXZQCXSA-N. The full InChI is InChI=1S/C35H50N2O5.C21H24N2O4.C14H27ClO.C8H19N/c1-2-3-4-5-6-7-8-9-10-11-12-24-33(38)36-25-18-17-23-32(34(39)40)37-35(41)42-26-31-29-21-15-13-19-27(29)28-20-14-16-22-30(28)31;22-12-6-5-11-19(20(24)25)23-21(26)27-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18;1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-6-9(7(2)3)8(4)5/h13-16,19-22,31-32H,2-12,17-18,23-26H2,1H3,(H,36,38)(H,37,41)(H,39,40);1-4,7-10,18-19H,5-6,11-13,22H2,(H,23,26)(H,24,25);2-13H2,1H3;7-8H,6H2,1-5H3/t32-;19-;;/m00../s1.
What are the key properties of (2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;N-ethyl-N-propan-2-ylpropan-2-amine;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(tetradecanoylamino)hexanoic acid;tetradecanoyl chloride?
(2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;N-ethyl-N-propan-2-ylpropan-2-amine;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(tetradecanoylamino)hexanoic acid;tetradecanoyl chloride has a molecular weight of 1323.30 g/mol, XLogP of 18.65, 44 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;N-ethyl-N-propan-2-ylpropan-2-amine;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(tetradecanoylamino)hexanoic acid;tetradecanoyl chloride is sourced from PubChem (CID 159293590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).