(2S)-6-amino-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]hexanoic acid

C16H23N3O4 — CID 7015183

IUPAC(2S)-6-amino-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]hexanoic acid
SMILESNCCCC[C@H](NC(=O)CNC(=O)Cc1ccccc1)C(=O)O
InChIInChI=1S/C16H23N3O4/c17-9-5-4-8-13(16(22)23)19-15(21)11-18-14(20)10-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11,17H2,(H,18,20)(H,19,21)(H,22,23)/t13-/m0/s1
InChIKeyVPCYMTNCRVUYFU-ZDUSSCGKSA-N
MW321.38 g/mol
LogP0.04
Rot. Bonds10

About (2S)-6-amino-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]hexanoic acid

(2S)-6-amino-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]hexanoic acid (PubChem CID 7015183) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is (2S)-6-amino-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-6-amino-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]hexanoic acid
PubChem CID7015183
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name(2S)-6-amino-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]hexanoic acid
SMILESNCCCC[C@H](NC(=O)CNC(=O)Cc1ccccc1)C(=O)O
InChIInChI=1S/C16H23N3O4/c17-9-5-4-8-13(16(22)23)19-15(21)11-18-14(20)10-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11,17H2,(H,18,20)(H,19,21)(H,22,23)/t13-/m0/s1
InChIKeyVPCYMTNCRVUYFU-ZDUSSCGKSA-N
XLogP0.04
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-6-amino-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]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)-6-amino-2-[(2-benzamidoacetyl)amino]hexanoic acid
CID 7010495
6-amino-2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-phenylpropanoyl]amino]hexanoic acid
CID 18487770
(2S)-6-amino-2-[[2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[(2-chloroacetyl)amino]hexanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]hexanoic acid
CID 59710612
6-amino-2-[[2-[[(2S)-2-[[2-[[6-amino-2-(prop-2-ynoylamino)hexanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]hexanoic acid
CID 143598411
2-[[2-[[6-amino-2-(2-aminopropanoylamino)hexanoyl]amino]acetyl]amino]-3-phenylpropanoic acid
CID 18237093
6-amino-2-[[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]acetyl]amino]-3-phenylpropanoyl]amino]hexanoic acid
CID 18748163
6-amino-2-[(2-naphthalen-1-ylacetyl)amino]hexanoic acid
CID 154945512
(2S)-6-amino-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]hexanoic acid
CID 14299171
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-4-methylpentanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoic acid
CID 10746622
(2S)-6-amino-2-[[2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]hexanoic acid
CID 171853524
6-amino-2-[[2-[(3-fluorophenyl)methylamino]acetyl]amino]hexanoic acid
CID 69169193
(2S)-6-amino-2-[[2-(1H-indol-3-yl)acetyl]amino]hexanoic acid
CID 57285552

Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]hexanoic acid?
The IUPAC name of (2S)-6-amino-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]hexanoic acid (CID 7015183) is (2S)-6-amino-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]hexanoic acid.
What is the SMILES notation for (2S)-6-amino-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]hexanoic acid?
The canonical SMILES for (2S)-6-amino-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]hexanoic acid is NCCCC[C@H](NC(=O)CNC(=O)Cc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-6-amino-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]hexanoic acid?
The InChIKey is VPCYMTNCRVUYFU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N3O4/c17-9-5-4-8-13(16(22)23)19-15(21)11-18-14(20)10-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11,17H2,(H,18,20)(H,19,21)(H,22,23)/t13-/m0/s1.
What are the key properties of (2S)-6-amino-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]hexanoic acid?
(2S)-6-amino-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]hexanoic acid has a molecular weight of 321.38 g/mol, XLogP of 0.04, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]hexanoic acid is sourced from PubChem (CID 7015183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).