3-(5-aminohexanoylamino)-3-cyclopropylpropanoic acid

C12H22N2O3 — CID 82853423

IUPAC3-(5-aminohexanoylamino)-3-cyclopropylpropanoic acid
SMILESCC(N)CCCC(=O)NC(CC(=O)O)C1CC1
InChIInChI=1S/C12H22N2O3/c1-8(13)3-2-4-11(15)14-10(7-12(16)17)9-5-6-9/h8-10H,2-7,13H2,1H3,(H,14,15)(H,16,17)
InChIKeyPRWLPMAYVQLFIC-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.87
Rot. Bonds8

About 3-(5-aminohexanoylamino)-3-cyclopropylpropanoic acid

3-(5-aminohexanoylamino)-3-cyclopropylpropanoic acid (PubChem CID 82853423) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-(5-aminohexanoylamino)-3-cyclopropylpropanoic acid.

Molecular Properties

Compound Name3-(5-aminohexanoylamino)-3-cyclopropylpropanoic acid
PubChem CID82853423
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-(5-aminohexanoylamino)-3-cyclopropylpropanoic acid
SMILESCC(N)CCCC(=O)NC(CC(=O)O)C1CC1
InChIInChI=1S/C12H22N2O3/c1-8(13)3-2-4-11(15)14-10(7-12(16)17)9-5-6-9/h8-10H,2-7,13H2,1H3,(H,14,15)(H,16,17)
InChIKeyPRWLPMAYVQLFIC-UHFFFAOYSA-N
XLogP0.87
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-3-(3-ethoxypropanoylamino)propanoic acid
CID 81361654
5-amino-N-[(1R)-1-cyclohexylethyl]hexanamide
CID 82852365
3-cyclopropyl-3-(4-phenylbutanoylamino)propanoic acid
CID 81361645
5-amino-N-cyclopropylhexanamide
CID 82848782
(2R)-2-(5-aminohexanoylamino)hexanedioic acid
CID 107835557
3-[[(2S)-2-aminopentanoyl]amino]-3-cyclopropylpropanoic acid
CID 103870481
5-amino-N-pentan-3-ylhexanamide
CID 82848944
2-(5-aminohexanoylamino)butanoic acid
CID 82851641
3-(5-aminohexanoylamino)propanoic acid
CID 82851454
4-(5-aminohexanoylamino)cyclohexane-1-carboxylic acid
CID 82852110
ethyl 2-(5-aminohexanoylamino)propanoate
CID 82851561
(2S)-2-(5-aminohexanoylamino)hexanoic acid
CID 107146995

Frequently Asked Questions

What is the IUPAC name of 3-(5-aminohexanoylamino)-3-cyclopropylpropanoic acid?
The IUPAC name of 3-(5-aminohexanoylamino)-3-cyclopropylpropanoic acid (CID 82853423) is 3-(5-aminohexanoylamino)-3-cyclopropylpropanoic acid.
What is the SMILES notation for 3-(5-aminohexanoylamino)-3-cyclopropylpropanoic acid?
The canonical SMILES for 3-(5-aminohexanoylamino)-3-cyclopropylpropanoic acid is CC(N)CCCC(=O)NC(CC(=O)O)C1CC1.
What is the InChIKey of 3-(5-aminohexanoylamino)-3-cyclopropylpropanoic acid?
The InChIKey is PRWLPMAYVQLFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8(13)3-2-4-11(15)14-10(7-12(16)17)9-5-6-9/h8-10H,2-7,13H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 3-(5-aminohexanoylamino)-3-cyclopropylpropanoic acid?
3-(5-aminohexanoylamino)-3-cyclopropylpropanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.87, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-aminohexanoylamino)-3-cyclopropylpropanoic acid is sourced from PubChem (CID 82853423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).