3-(3-cyclopropylpropanoylamino)hexanoic acid

C12H21NO3 — CID 115910353

IUPAC3-(3-cyclopropylpropanoylamino)hexanoic acid
SMILESCCCC(CC(=O)O)NC(=O)CCC1CC1
InChIInChI=1S/C12H21NO3/c1-2-3-10(8-12(15)16)13-11(14)7-6-9-4-5-9/h9-10H,2-8H2,1H3,(H,13,14)(H,15,16)
InChIKeyARZYKBGQAVBQSR-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.94
Rot. Bonds8

About 3-(3-cyclopropylpropanoylamino)hexanoic acid

3-(3-cyclopropylpropanoylamino)hexanoic acid (PubChem CID 115910353) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 3-(3-cyclopropylpropanoylamino)hexanoic acid.

Molecular Properties

Compound Name3-(3-cyclopropylpropanoylamino)hexanoic acid
PubChem CID115910353
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name3-(3-cyclopropylpropanoylamino)hexanoic acid
SMILESCCCC(CC(=O)O)NC(=O)CCC1CC1
InChIInChI=1S/C12H21NO3/c1-2-3-10(8-12(15)16)13-11(14)7-6-9-4-5-9/h9-10H,2-8H2,1H3,(H,13,14)(H,15,16)
InChIKeyARZYKBGQAVBQSR-UHFFFAOYSA-N
XLogP1.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-3-((S)-Hexadecanoylamino)-5-methyl-hexanoic acid
CID 10385302
6-Acetamido-3-aminohexanoic acid
CID 440139
2-Acetylamino-3-cyclopropylpropionic acid
CID 11805193
(R)-3-((S)-Decanoylamino)-5-methyl-hexanoic acid
CID 10380017
(3S)-3-[[(2S)-3-amino-2-methylpropanoyl]amino]-5-methylhexanoic acid
CID 23630523
(3S)-3-[[(3S)-3-aminobutanoyl]amino]-5-methylhexanoic acid
CID 23630821
6-Acetamido-3-aminohexanoic acid;dihydrochloride
CID 168275095
3-{[(Tert-butoxy)carbonyl]amino}-3-cyclopropylpropanoic acid
CID 22309337
(3S)-3-(((tert-butoxy)carbonyl)amino)-3-cyclopropylpropanoic acid
CID 40418735
(R)-3-((tert-butoxycarbonyl)amino)-3-cyclopropylpropanoic acid
CID 40423870
2-(5-Oxopyrrolidin-2-yl)propanoic acid
CID 53961578
3-Acetamido-5,5-dimethylhexanoic acid
CID 10442807

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropylpropanoylamino)hexanoic acid?
The IUPAC name of 3-(3-cyclopropylpropanoylamino)hexanoic acid (CID 115910353) is 3-(3-cyclopropylpropanoylamino)hexanoic acid.
What is the SMILES notation for 3-(3-cyclopropylpropanoylamino)hexanoic acid?
The canonical SMILES for 3-(3-cyclopropylpropanoylamino)hexanoic acid is CCCC(CC(=O)O)NC(=O)CCC1CC1.
What is the InChIKey of 3-(3-cyclopropylpropanoylamino)hexanoic acid?
The InChIKey is ARZYKBGQAVBQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-2-3-10(8-12(15)16)13-11(14)7-6-9-4-5-9/h9-10H,2-8H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-(3-cyclopropylpropanoylamino)hexanoic acid?
3-(3-cyclopropylpropanoylamino)hexanoic acid has a molecular weight of 227.30 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropylpropanoylamino)hexanoic acid is sourced from PubChem (CID 115910353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).