(2S)-2-amino-6-[[2-(aminodiazenyl)phenyl]methoxycarbonylamino]hexanoic acid

C14H21N5O4 — CID 102597435

IUPAC(2S)-2-amino-6-[[2-(aminodiazenyl)phenyl]methoxycarbonylamino]hexanoic acid
SMILESN/N=N/c1ccccc1COC(=O)NCCCC[C@H](N)C(=O)O
InChIInChI=1S/C14H21N5O4/c15-11(13(20)21)6-3-4-8-17-14(22)23-9-10-5-1-2-7-12(10)18-19-16/h1-2,5,7,11H,3-4,6,8-9,15H2,(H2,16,18)(H,17,22)(H,20,21)/t11-/m0/s1
InChIKeyCOVYHSNGFKACRS-NSHDSACASA-N
MW323.35 g/mol
LogP1.45
Rot. Bonds9

About (2S)-2-amino-6-[[2-(aminodiazenyl)phenyl]methoxycarbonylamino]hexanoic acid

(2S)-2-amino-6-[[2-(aminodiazenyl)phenyl]methoxycarbonylamino]hexanoic acid (PubChem CID 102597435) has the molecular formula C14H21N5O4 and a molecular weight of 323.35 g/mol. Its IUPAC name is (2S)-2-amino-6-[[2-(aminodiazenyl)phenyl]methoxycarbonylamino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-6-[[2-(aminodiazenyl)phenyl]methoxycarbonylamino]hexanoic acid
PubChem CID102597435
Molecular FormulaC14H21N5O4
Molecular Weight323.35 g/mol
Exact Mass323.16
IUPAC Name(2S)-2-amino-6-[[2-(aminodiazenyl)phenyl]methoxycarbonylamino]hexanoic acid
SMILESN/N=N/c1ccccc1COC(=O)NCCCC[C@H](N)C(=O)O
InChIInChI=1S/C14H21N5O4/c15-11(13(20)21)6-3-4-8-17-14(22)23-9-10-5-1-2-7-12(10)18-19-16/h1-2,5,7,11H,3-4,6,8-9,15H2,(H2,16,18)(H,17,22)(H,20,21)/t11-/m0/s1
InChIKeyCOVYHSNGFKACRS-NSHDSACASA-N
XLogP1.45
TPSA152.39 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S)-2-amino-6-[[2-(aminodiazenyl)phenyl]methoxycarbonylamino]hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-6-[(2-azidophenyl)methoxycarbonylamino]hexanoic acid
CID 89499050
(2S)-2-amino-6-[(2-azidophenyl)methoxycarbonylamino]hexanoic acid;hydrochloride
CID 122705997
(2S)-2-amino-6-[(2-methylphenyl)methoxycarbonylamino]hexanoic acid
CID 122607486
(2S)-2-amino-7-(phenylmethoxycarbonylamino)heptanoic acid
CID 23561663
bis(2-amino-6-(phenylmethoxycarbonylamino)hexanoic acid);copper
CID 10579765
2-amino-6-[(2-ethynylphenyl)methoxycarbonylamino]hexanoic acid;hydrochloride
CID 138585760
benzyl N-[5-amino-6-(butylamino)-6-oxohexyl]carbamate
CID 156743341
methyl (2S)-2-amino-6-[(2-chlorophenyl)methoxycarbonylamino]hexanoate;hydrochloride
CID 46243155
(2S)-2-amino-6-[(4-formylphenyl)methoxycarbonylamino]hexanoic acid
CID 126611502
benzyl N-[(5S)-5-amino-6-(2,2-diphenylethylamino)-6-oxohexyl]carbamate
CID 70053554
benzyl (2R)-2-[[(2S)-2-amino-6-(phenylmethoxycarbonylamino)hexanoyl]amino]propanoate;hydrochloride
CID 70414486
6-[[2-amino-6-(phenylmethoxycarbonylamino)hexanoyl]amino]hexanoic acid
CID 155369198

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-6-[[2-(aminodiazenyl)phenyl]methoxycarbonylamino]hexanoic acid?
The IUPAC name of (2S)-2-amino-6-[[2-(aminodiazenyl)phenyl]methoxycarbonylamino]hexanoic acid (CID 102597435) is (2S)-2-amino-6-[[2-(aminodiazenyl)phenyl]methoxycarbonylamino]hexanoic acid.
What is the SMILES notation for (2S)-2-amino-6-[[2-(aminodiazenyl)phenyl]methoxycarbonylamino]hexanoic acid?
The canonical SMILES for (2S)-2-amino-6-[[2-(aminodiazenyl)phenyl]methoxycarbonylamino]hexanoic acid is N/N=N/c1ccccc1COC(=O)NCCCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-6-[[2-(aminodiazenyl)phenyl]methoxycarbonylamino]hexanoic acid?
The InChIKey is COVYHSNGFKACRS-NSHDSACASA-N. The full InChI is InChI=1S/C14H21N5O4/c15-11(13(20)21)6-3-4-8-17-14(22)23-9-10-5-1-2-7-12(10)18-19-16/h1-2,5,7,11H,3-4,6,8-9,15H2,(H2,16,18)(H,17,22)(H,20,21)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-6-[[2-(aminodiazenyl)phenyl]methoxycarbonylamino]hexanoic acid?
(2S)-2-amino-6-[[2-(aminodiazenyl)phenyl]methoxycarbonylamino]hexanoic acid has a molecular weight of 323.35 g/mol, XLogP of 1.45, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-6-[[2-(aminodiazenyl)phenyl]methoxycarbonylamino]hexanoic acid is sourced from PubChem (CID 102597435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).