6-amino-2-(N-formylanilino)hexanoic acid

C13H18N2O3 — CID 90921311

IUPAC6-amino-2-(N-formylanilino)hexanoic acid
SMILESNCCCCC(C(=O)O)N(C=O)c1ccccc1
InChIInChI=1S/C13H18N2O3/c14-9-5-4-8-12(13(17)18)15(10-16)11-6-2-1-3-7-11/h1-3,6-7,10,12H,4-5,8-9,14H2,(H,17,18)
InChIKeyKHDPKBXCNAQSEW-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.23
Rot. Bonds8

About 6-amino-2-(N-formylanilino)hexanoic acid

6-amino-2-(N-formylanilino)hexanoic acid (PubChem CID 90921311) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-amino-2-(N-formylanilino)hexanoic acid.

Molecular Properties

Compound Name6-amino-2-(N-formylanilino)hexanoic acid
PubChem CID90921311
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name6-amino-2-(N-formylanilino)hexanoic acid
SMILESNCCCCC(C(=O)O)N(C=O)c1ccccc1
InChIInChI=1S/C13H18N2O3/c14-9-5-4-8-12(13(17)18)15(10-16)11-6-2-1-3-7-11/h1-3,6-7,10,12H,4-5,8-9,14H2,(H,17,18)
InChIKeyKHDPKBXCNAQSEW-UHFFFAOYSA-N
XLogP1.23
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-amino-2-(N-formylanilino)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-[benzoyl(bromo)amino]hexanoic acid
CID 87514666
6-amino-2-[bis(phenoxycarbonyl)amino]hexanoic acid
CID 76503295
(2R)-6-amino-2-[methyl(phenylmethoxycarbonyl)amino]hexanoic acid
CID 162974941
6-amino-2-(diiodoamino)hexanoic acid
CID 175237266
(2S)-6-amino-2-(phenoxyamino)hexanoic acid
CID 20593385
(2S)-6-amino-2-[hydroxy(phosphono)amino]hexanoic acid
CID 54536172
(2S)-6-amino-2-[bis(4-hydroxybenzoyl)amino]hexanoic acid
CID 22838755
(2S)-6-amino-2-[di(propan-2-yl)amino]hexanoic acid
CID 150108342
11-hydroxy-2-(N-methylanilino)undecanoic acid
CID 166002008
6-amino-2-[azido(phenylmethoxycarbonyl)amino]hexanoic acid
CID 77179098
2-[2-acetyl-N-(2-aminopropanoyl)anilino]-6-aminohexanoic acid
CID 174455659
(2S)-6-amino-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]hexanoic acid
CID 102331202

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(N-formylanilino)hexanoic acid?
The IUPAC name of 6-amino-2-(N-formylanilino)hexanoic acid (CID 90921311) is 6-amino-2-(N-formylanilino)hexanoic acid.
What is the SMILES notation for 6-amino-2-(N-formylanilino)hexanoic acid?
The canonical SMILES for 6-amino-2-(N-formylanilino)hexanoic acid is NCCCCC(C(=O)O)N(C=O)c1ccccc1.
What is the InChIKey of 6-amino-2-(N-formylanilino)hexanoic acid?
The InChIKey is KHDPKBXCNAQSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c14-9-5-4-8-12(13(17)18)15(10-16)11-6-2-1-3-7-11/h1-3,6-7,10,12H,4-5,8-9,14H2,(H,17,18).
What are the key properties of 6-amino-2-(N-formylanilino)hexanoic acid?
6-amino-2-(N-formylanilino)hexanoic acid has a molecular weight of 250.30 g/mol, XLogP of 1.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(N-formylanilino)hexanoic acid is sourced from PubChem (CID 90921311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).