3-(5-aminohexanoylamino)propanoic acid

C9H18N2O3 — CID 82851454

IUPAC3-(5-aminohexanoylamino)propanoic acid
SMILESCC(N)CCCC(=O)NCCC(=O)O
InChIInChI=1S/C9H18N2O3/c1-7(10)3-2-4-8(12)11-6-5-9(13)14/h7H,2-6,10H2,1H3,(H,11,12)(H,13,14)
InChIKeyWOQVYVQIHUAOKP-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.09
Rot. Bonds7

About 3-(5-aminohexanoylamino)propanoic acid

3-(5-aminohexanoylamino)propanoic acid (PubChem CID 82851454) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-(5-aminohexanoylamino)propanoic acid.

Molecular Properties

Compound Name3-(5-aminohexanoylamino)propanoic acid
PubChem CID82851454
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name3-(5-aminohexanoylamino)propanoic acid
SMILESCC(N)CCCC(=O)NCCC(=O)O
InChIInChI=1S/C9H18N2O3/c1-7(10)3-2-4-8(12)11-6-5-9(13)14/h7H,2-6,10H2,1H3,(H,11,12)(H,13,14)
InChIKeyWOQVYVQIHUAOKP-UHFFFAOYSA-N
XLogP0.09
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-(3-aminopropyl)hexanamide
CID 82851276
5-amino-N-(3-hydroxybutyl)hexanamide
CID 82852052
5-amino-N-(5-hydroxypentyl)hexanamide
CID 107317733
3-(7-methyloctanoylamino)propanoic acid
CID 115729984
5-amino-N-but-3-ynylhexanamide
CID 82852148
5-amino-N-(3,3,3-trifluoropropyl)hexanamide
CID 82851486
18-[[4-[[(5R)-5-aminohexyl]amino]-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 162681415
(2R)-2-(5-aminohexanoylamino)hexanedioic acid
CID 107835557
5-amino-N-(2-cyclopentylethyl)hexanamide
CID 82852565
(6S)-6-aminoheptanoic acid
CID 54134193
(4R)-4-amino-N-propylpentanamide
CID 146234117
14-aminopentadecanoic acid
CID 87306551

Frequently Asked Questions

What is the IUPAC name of 3-(5-aminohexanoylamino)propanoic acid?
The IUPAC name of 3-(5-aminohexanoylamino)propanoic acid (CID 82851454) is 3-(5-aminohexanoylamino)propanoic acid.
What is the SMILES notation for 3-(5-aminohexanoylamino)propanoic acid?
The canonical SMILES for 3-(5-aminohexanoylamino)propanoic acid is CC(N)CCCC(=O)NCCC(=O)O.
What is the InChIKey of 3-(5-aminohexanoylamino)propanoic acid?
The InChIKey is WOQVYVQIHUAOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-7(10)3-2-4-8(12)11-6-5-9(13)14/h7H,2-6,10H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 3-(5-aminohexanoylamino)propanoic acid?
3-(5-aminohexanoylamino)propanoic acid has a molecular weight of 202.25 g/mol, XLogP of 0.09, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-aminohexanoylamino)propanoic acid is sourced from PubChem (CID 82851454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).