(2R)-2-aminopropanoic acid;5-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) 2-aminopent-2-enedioate

C26H32N2O6 — CID 160585494

IUPAC(2R)-2-aminopropanoic acid;5-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) 2-aminopent-2-enedioate
SMILESCC(C)(C)OC(=O)CC=C(N)C(=O)OCC1c2ccccc2-c2ccccc21.C[C@@H](N)C(=O)O
InChIInChI=1S/C23H25NO4.C3H7NO2/c1-23(2,3)28-21(25)13-12-20(24)22(26)27-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19;1-2(4)3(5)6/h4-12,19H,13-14,24H2,1-3H3;2H,4H2,1H3,(H,5,6)/t;2-/m.1/s1
InChIKeyRCILIJMHDVFNSP-ARGLLVQISA-N
MW468.55 g/mol
LogP3.33
Rot. Bonds6

About (2R)-2-aminopropanoic acid;5-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) 2-aminopent-2-enedioate

(2R)-2-aminopropanoic acid;5-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) 2-aminopent-2-enedioate (PubChem CID 160585494) has the molecular formula C26H32N2O6 and a molecular weight of 468.55 g/mol. Its IUPAC name is (2R)-2-aminopropanoic acid;5-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) 2-aminopent-2-enedioate.

Molecular Properties

Compound Name(2R)-2-aminopropanoic acid;5-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) 2-aminopent-2-enedioate
PubChem CID160585494
Molecular FormulaC26H32N2O6
Molecular Weight468.55 g/mol
Exact Mass468.23
IUPAC Name(2R)-2-aminopropanoic acid;5-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) 2-aminopent-2-enedioate
SMILESCC(C)(C)OC(=O)CC=C(N)C(=O)OCC1c2ccccc2-c2ccccc21.C[C@@H](N)C(=O)O
InChIInChI=1S/C23H25NO4.C3H7NO2/c1-23(2,3)28-21(25)13-12-20(24)22(26)27-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19;1-2(4)3(5)6/h4-12,19H,13-14,24H2,1-3H3;2H,4H2,1H3,(H,5,6)/t;2-/m.1/s1
InChIKeyRCILIJMHDVFNSP-ARGLLVQISA-N
XLogP3.33
TPSA141.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2R)-2-aminopropanoic acid;5-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) 2-aminopent-2-enedioate with MolForge

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Launch Full Analysis

Related Compounds

(3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 59669590
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 7018816
5-(9H-fluoren-9-ylmethoxy)-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopentanoic acid
CID 162054957
(2R)-4-(9H-fluoren-9-ylmethoxy)-4-oxo-2-propan-2-ylbutanoic acid
CID 159963663
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 7018222
tert-butyl 2-[(9H-fluoren-9-ylmethoxycarbonylamino)-(2-methylpropyl)amino]acetate
CID 101025397
2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;hydrate
CID 71317335
9H-fluoren-9-ylmethyl (3S)-3-amino-4-[(2-methylpropan-2-yl)oxy]-2-oxobutanoate
CID 175773392
(2S)-2-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 56980534
2-amino-4-[9H-fluoren-9-ylmethoxycarbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid
CID 91199963
(2S)-2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-4,4-dimethylpentanoic acid
CID 147470453
(2S)-2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-3-methylpentanoic acid
CID 149470928

Frequently Asked Questions

What is the IUPAC name of (2R)-2-aminopropanoic acid;5-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) 2-aminopent-2-enedioate?
The IUPAC name of (2R)-2-aminopropanoic acid;5-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) 2-aminopent-2-enedioate (CID 160585494) is (2R)-2-aminopropanoic acid;5-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) 2-aminopent-2-enedioate.
What is the SMILES notation for (2R)-2-aminopropanoic acid;5-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) 2-aminopent-2-enedioate?
The canonical SMILES for (2R)-2-aminopropanoic acid;5-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) 2-aminopent-2-enedioate is CC(C)(C)OC(=O)CC=C(N)C(=O)OCC1c2ccccc2-c2ccccc21.C[C@@H](N)C(=O)O.
What is the InChIKey of (2R)-2-aminopropanoic acid;5-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) 2-aminopent-2-enedioate?
The InChIKey is RCILIJMHDVFNSP-ARGLLVQISA-N. The full InChI is InChI=1S/C23H25NO4.C3H7NO2/c1-23(2,3)28-21(25)13-12-20(24)22(26)27-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19;1-2(4)3(5)6/h4-12,19H,13-14,24H2,1-3H3;2H,4H2,1H3,(H,5,6)/t;2-/m.1/s1.
What are the key properties of (2R)-2-aminopropanoic acid;5-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) 2-aminopent-2-enedioate?
(2R)-2-aminopropanoic acid;5-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) 2-aminopent-2-enedioate has a molecular weight of 468.55 g/mol, XLogP of 3.33, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-aminopropanoic acid;5-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) 2-aminopent-2-enedioate is sourced from PubChem (CID 160585494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).