4-(2-aminohexanoylamino)butanoic acid

C10H20N2O3 — CID 61157473

IUPAC4-(2-aminohexanoylamino)butanoic acid
SMILESCCCCC(N)C(=O)NCCCC(=O)O
InChIInChI=1S/C10H20N2O3/c1-2-3-5-8(11)10(15)12-7-4-6-9(13)14/h8H,2-7,11H2,1H3,(H,12,15)(H,13,14)
InChIKeyCQEOIQJHYWDFDK-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.48
Rot. Bonds8

About 4-(2-aminohexanoylamino)butanoic acid

4-(2-aminohexanoylamino)butanoic acid (PubChem CID 61157473) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-(2-aminohexanoylamino)butanoic acid.

Molecular Properties

Compound Name4-(2-aminohexanoylamino)butanoic acid
PubChem CID61157473
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name4-(2-aminohexanoylamino)butanoic acid
SMILESCCCCC(N)C(=O)NCCCC(=O)O
InChIInChI=1S/C10H20N2O3/c1-2-3-5-8(11)10(15)12-7-4-6-9(13)14/h8H,2-7,11H2,1H3,(H,12,15)(H,13,14)
InChIKeyCQEOIQJHYWDFDK-UHFFFAOYSA-N
XLogP0.48
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-butylhexanamide;hydrochloride
CID 86592163
7-[[(2R)-2-aminopentanoyl]amino]heptanoic acid
CID 103869350
6-[[(2R)-2-aminopentanoyl]amino]hexanoic acid
CID 103868717
2-amino-N-hexylhexanamide
CID 60852762
(2S)-2-amino-N-dodecylhexanamide;hydrochloride
CID 135364190
5-(2-aminohexanoylamino)-4-methylpentanoic acid
CID 82689054
4-amino-5-[(4-amino-4-oxobutyl)amino]-5-oxopentanoic acid
CID 64890076
4-(2,3-diaminopropanoylamino)butanoic acid
CID 123677811
4-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]butanoic acid
CID 104907974
5-(2,5-diaminopentanoylamino)pentanoic acid;dichloroplatinum
CID 144749170
(2R)-2-amino-N-butylpentanamide
CID 82668431
(2S)-2-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide
CID 103831039

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminohexanoylamino)butanoic acid?
The IUPAC name of 4-(2-aminohexanoylamino)butanoic acid (CID 61157473) is 4-(2-aminohexanoylamino)butanoic acid.
What is the SMILES notation for 4-(2-aminohexanoylamino)butanoic acid?
The canonical SMILES for 4-(2-aminohexanoylamino)butanoic acid is CCCCC(N)C(=O)NCCCC(=O)O.
What is the InChIKey of 4-(2-aminohexanoylamino)butanoic acid?
The InChIKey is CQEOIQJHYWDFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-2-3-5-8(11)10(15)12-7-4-6-9(13)14/h8H,2-7,11H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 4-(2-aminohexanoylamino)butanoic acid?
4-(2-aminohexanoylamino)butanoic acid has a molecular weight of 216.28 g/mol, XLogP of 0.48, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminohexanoylamino)butanoic acid is sourced from PubChem (CID 61157473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).