2-(5-aminohexanoylamino)butanoic acid

C10H20N2O3 — CID 82851641

IUPAC2-(5-aminohexanoylamino)butanoic acid
SMILESCCC(NC(=O)CCCC(C)N)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-3-8(10(14)15)12-9(13)6-4-5-7(2)11/h7-8H,3-6,11H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyAXDIJWBVOGWCLW-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.48
Rot. Bonds7

About 2-(5-aminohexanoylamino)butanoic acid

2-(5-aminohexanoylamino)butanoic acid (PubChem CID 82851641) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(5-aminohexanoylamino)butanoic acid.

Molecular Properties

Compound Name2-(5-aminohexanoylamino)butanoic acid
PubChem CID82851641
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-(5-aminohexanoylamino)butanoic acid
SMILESCCC(NC(=O)CCCC(C)N)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-3-8(10(14)15)12-9(13)6-4-5-7(2)11/h7-8H,3-6,11H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyAXDIJWBVOGWCLW-UHFFFAOYSA-N
XLogP0.48
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
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

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Related Compounds

(2S)-2-(5-aminohexanoylamino)hexanoic acid
CID 107146995
(2R)-2-(5-aminohexanoylamino)hexanedioic acid
CID 107835557
(2S)-2-amino-5-[[(1R)-1-carboxypropyl]amino]-5-oxopentanoic acid
CID 129361384
2-(5-aminohexanoylamino)pent-4-ynoic acid
CID 82853867
2-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]butanoic acid
CID 119223676
5-amino-N-pentan-3-ylhexanamide
CID 82848944
(2S)-2-[(5-amino-4-methylpentanoyl)amino]butanoic acid
CID 82689262
2-[4-(methylamino)butanoylamino]butanoic acid
CID 61161586
(2R)-5-amino-2-(4-aminopentanoylamino)-5-oxopentanoic acid
CID 114006011
ethyl 2-(5-aminohexanoylamino)propanoate
CID 82851561
(2S)-2-(7-sulfanylheptanoylamino)butanoic acid
CID 155171272
2-(5-aminohexanoylamino)-N,4-dimethylpentanamide
CID 82848725

Frequently Asked Questions

What is the IUPAC name of 2-(5-aminohexanoylamino)butanoic acid?
The IUPAC name of 2-(5-aminohexanoylamino)butanoic acid (CID 82851641) is 2-(5-aminohexanoylamino)butanoic acid.
What is the SMILES notation for 2-(5-aminohexanoylamino)butanoic acid?
The canonical SMILES for 2-(5-aminohexanoylamino)butanoic acid is CCC(NC(=O)CCCC(C)N)C(=O)O.
What is the InChIKey of 2-(5-aminohexanoylamino)butanoic acid?
The InChIKey is AXDIJWBVOGWCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-3-8(10(14)15)12-9(13)6-4-5-7(2)11/h7-8H,3-6,11H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-(5-aminohexanoylamino)butanoic acid?
2-(5-aminohexanoylamino)butanoic acid has a molecular weight of 216.28 g/mol, XLogP of 0.48, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminohexanoylamino)butanoic acid is sourced from PubChem (CID 82851641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).