(2S)-6-amino-2-(cyclohexanecarbonylamino)hexanoic acid

C13H24N2O3 — CID 22838737

IUPAC(2S)-6-amino-2-(cyclohexanecarbonylamino)hexanoic acid
SMILESNCCCC[C@H](NC(=O)C1CCCCC1)C(=O)O
InChIInChI=1S/C13H24N2O3/c14-9-5-4-8-11(13(17)18)15-12(16)10-6-2-1-3-7-10/h10-11H,1-9,14H2,(H,15,16)(H,17,18)/t11-/m0/s1
InChIKeyVWAUILXXCNWFEY-NSHDSACASA-N
MW256.35 g/mol
LogP1.27
Rot. Bonds7

About (2S)-6-amino-2-(cyclohexanecarbonylamino)hexanoic acid

(2S)-6-amino-2-(cyclohexanecarbonylamino)hexanoic acid (PubChem CID 22838737) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is (2S)-6-amino-2-(cyclohexanecarbonylamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-6-amino-2-(cyclohexanecarbonylamino)hexanoic acid
PubChem CID22838737
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name(2S)-6-amino-2-(cyclohexanecarbonylamino)hexanoic acid
SMILESNCCCC[C@H](NC(=O)C1CCCCC1)C(=O)O
InChIInChI=1S/C13H24N2O3/c14-9-5-4-8-11(13(17)18)15-12(16)10-6-2-1-3-7-10/h10-11H,1-9,14H2,(H,15,16)(H,17,18)/t11-/m0/s1
InChIKeyVWAUILXXCNWFEY-NSHDSACASA-N
XLogP1.27
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-6-amino-2-(cyclohexanecarbonylamino)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

(2R)-2-(cyclooctanecarbonylamino)hexanedioic acid
CID 107831603
N-[(3S)-1,7-diamino-2-oxo-1-sulfanylideneheptan-3-yl]cyclopentanecarboxamide
CID 121280070
2-(cycloheptanecarbonylamino)-5-methoxypentanoic acid
CID 81077074
N-[7-amino-1-(dimethyl-λ4-sulfanylidene)-2-oxoheptan-3-yl]cyclopentanecarboxamide
CID 142307561
6-amino-2-(cyclopentylamino)hexanoic acid
CID 19080804
2-(cycloheptanecarbonylamino)-4-methoxybutanoic acid
CID 55091388
(2S)-2-(cyclohexanecarbonylamino)-4-methylsulfanylbutanoic acid
CID 40617599
(2R)-2-(cyclobutanecarbonylamino)-4-hydroxybutanoic acid
CID 107823219
(2S)-6-amino-2-[[(2S)-1-deuteriopyrrolidine-2-carbonyl]amino]hexanoic acid
CID 140967117
2-(cyclohexanecarbonylamino)-4-ethylsulfonylbutanoic acid
CID 108755127
2-(cyclobutanecarbonylamino)pentanedioic acid
CID 60657073
6-(cyclohexanecarbonylamino)-2-methylheptanoic acid
CID 65286195

Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-(cyclohexanecarbonylamino)hexanoic acid?
The IUPAC name of (2S)-6-amino-2-(cyclohexanecarbonylamino)hexanoic acid (CID 22838737) is (2S)-6-amino-2-(cyclohexanecarbonylamino)hexanoic acid.
What is the SMILES notation for (2S)-6-amino-2-(cyclohexanecarbonylamino)hexanoic acid?
The canonical SMILES for (2S)-6-amino-2-(cyclohexanecarbonylamino)hexanoic acid is NCCCC[C@H](NC(=O)C1CCCCC1)C(=O)O.
What is the InChIKey of (2S)-6-amino-2-(cyclohexanecarbonylamino)hexanoic acid?
The InChIKey is VWAUILXXCNWFEY-NSHDSACASA-N. The full InChI is InChI=1S/C13H24N2O3/c14-9-5-4-8-11(13(17)18)15-12(16)10-6-2-1-3-7-10/h10-11H,1-9,14H2,(H,15,16)(H,17,18)/t11-/m0/s1.
What are the key properties of (2S)-6-amino-2-(cyclohexanecarbonylamino)hexanoic acid?
(2S)-6-amino-2-(cyclohexanecarbonylamino)hexanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.27, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-(cyclohexanecarbonylamino)hexanoic acid is sourced from PubChem (CID 22838737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).