2,6-diaminohexanoic acid;2-(9H-fluoren-1-ylmethoxycarbonylamino)propanoic acid

C24H31N3O6 — CID 174881683

IUPAC2,6-diaminohexanoic acid;2-(9H-fluoren-1-ylmethoxycarbonylamino)propanoic acid
SMILESCC(NC(=O)OCc1cccc2c1Cc1ccccc1-2)C(=O)O.NCCCCC(N)C(=O)O
InChIInChI=1S/C18H17NO4.C6H14N2O2/c1-11(17(20)21)19-18(22)23-10-13-6-4-8-15-14-7-3-2-5-12(14)9-16(13)15;7-4-2-1-3-5(8)6(9)10/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,21);5H,1-4,7-8H2,(H,9,10)
InChIKeyYYYZSXJBILOPSI-UHFFFAOYSA-N
MW457.53 g/mol
LogP2.48
Rot. Bonds9

About 2,6-diaminohexanoic acid;2-(9H-fluoren-1-ylmethoxycarbonylamino)propanoic acid

2,6-diaminohexanoic acid;2-(9H-fluoren-1-ylmethoxycarbonylamino)propanoic acid (PubChem CID 174881683) has the molecular formula C24H31N3O6 and a molecular weight of 457.53 g/mol. Its IUPAC name is 2,6-diaminohexanoic acid;2-(9H-fluoren-1-ylmethoxycarbonylamino)propanoic acid.

Molecular Properties

Compound Name2,6-diaminohexanoic acid;2-(9H-fluoren-1-ylmethoxycarbonylamino)propanoic acid
PubChem CID174881683
Molecular FormulaC24H31N3O6
Molecular Weight457.53 g/mol
Exact Mass457.22
IUPAC Name2,6-diaminohexanoic acid;2-(9H-fluoren-1-ylmethoxycarbonylamino)propanoic acid
SMILESCC(NC(=O)OCc1cccc2c1Cc1ccccc1-2)C(=O)O.NCCCCC(N)C(=O)O
InChIInChI=1S/C18H17NO4.C6H14N2O2/c1-11(17(20)21)19-18(22)23-10-13-6-4-8-15-14-7-3-2-5-12(14)9-16(13)15;7-4-2-1-3-5(8)6(9)10/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,21);5H,1-4,7-8H2,(H,9,10)
InChIKeyYYYZSXJBILOPSI-UHFFFAOYSA-N
XLogP2.48
TPSA164.97 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 52.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,6-diaminohexanoic acid;9H-fluoren-1-ylmethyl carbonochloridate
CID 175563676
2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-(9H-fluoren-1-ylmethoxycarbonylamino)butanedioic acid
CID 175143885
2H-benzotriazol-4-ol;2-(9H-fluoren-1-ylmethoxycarbonylamino)propanoic acid
CID 175252148
3-(9H-fluoren-1-ylmethoxycarbonylamino)butanoic acid
CID 174897078
(2R)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-methylpentanoic acid
CID 155412566
(2S)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-4-methylpentanoic acid
CID 14767788
(2R)-5-(9H-fluoren-1-ylmethoxycarbonylamino)-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 165175181
(2,3,4,5,6-pentafluorophenyl) (2S,3R)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-hydroxybutanoate
CID 87881323
ethyl 2-[[2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]-2-methylpropanoate
CID 175450580
9H-fluoren-1-ylmethyl 2-chlorohexanoate
CID 175075714
5-amino-2-[9H-fluoren-1-ylmethoxycarbonyl(prop-2-enoxycarbonyl)amino]pentanoic acid
CID 174959823
2-(2-aminopropanoylamino)propanoic acid;2,6-diaminohexanoic acid
CID 71340750

Frequently Asked Questions

What is the IUPAC name of 2,6-diaminohexanoic acid;2-(9H-fluoren-1-ylmethoxycarbonylamino)propanoic acid?
The IUPAC name of 2,6-diaminohexanoic acid;2-(9H-fluoren-1-ylmethoxycarbonylamino)propanoic acid (CID 174881683) is 2,6-diaminohexanoic acid;2-(9H-fluoren-1-ylmethoxycarbonylamino)propanoic acid.
What is the SMILES notation for 2,6-diaminohexanoic acid;2-(9H-fluoren-1-ylmethoxycarbonylamino)propanoic acid?
The canonical SMILES for 2,6-diaminohexanoic acid;2-(9H-fluoren-1-ylmethoxycarbonylamino)propanoic acid is CC(NC(=O)OCc1cccc2c1Cc1ccccc1-2)C(=O)O.NCCCCC(N)C(=O)O.
What is the InChIKey of 2,6-diaminohexanoic acid;2-(9H-fluoren-1-ylmethoxycarbonylamino)propanoic acid?
The InChIKey is YYYZSXJBILOPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4.C6H14N2O2/c1-11(17(20)21)19-18(22)23-10-13-6-4-8-15-14-7-3-2-5-12(14)9-16(13)15;7-4-2-1-3-5(8)6(9)10/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,21);5H,1-4,7-8H2,(H,9,10).
What are the key properties of 2,6-diaminohexanoic acid;2-(9H-fluoren-1-ylmethoxycarbonylamino)propanoic acid?
2,6-diaminohexanoic acid;2-(9H-fluoren-1-ylmethoxycarbonylamino)propanoic acid has a molecular weight of 457.53 g/mol, XLogP of 2.48, 9 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diaminohexanoic acid;2-(9H-fluoren-1-ylmethoxycarbonylamino)propanoic acid is sourced from PubChem (CID 174881683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).