2-[(2-cycloheptylacetyl)amino]butanoic acid

C13H23NO3 — CID 115909894

IUPAC2-[(2-cycloheptylacetyl)amino]butanoic acid
SMILESCCC(NC(=O)CC1CCCCCC1)C(=O)O
InChIInChI=1S/C13H23NO3/c1-2-11(13(16)17)14-12(15)9-10-7-5-3-4-6-8-10/h10-11H,2-9H2,1H3,(H,14,15)(H,16,17)
InChIKeyLCSIBMXQLTYVGD-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.33
Rot. Bonds5

About 2-[(2-cycloheptylacetyl)amino]butanoic acid

2-[(2-cycloheptylacetyl)amino]butanoic acid (PubChem CID 115909894) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[(2-cycloheptylacetyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(2-cycloheptylacetyl)amino]butanoic acid
PubChem CID115909894
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-[(2-cycloheptylacetyl)amino]butanoic acid
SMILESCCC(NC(=O)CC1CCCCCC1)C(=O)O
InChIInChI=1S/C13H23NO3/c1-2-11(13(16)17)14-12(15)9-10-7-5-3-4-6-8-10/h10-11H,2-9H2,1H3,(H,14,15)(H,16,17)
InChIKeyLCSIBMXQLTYVGD-UHFFFAOYSA-N
XLogP2.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-cyclopentylacetyl)amino]hexanoic acid
CID 60657212
(2S)-2-[(2-cyclohexylacetyl)amino]-4-methoxy-4-oxobutanoic acid
CID 63307198
(2S)-2-[(2-cycloheptylacetyl)amino]pentanedioic acid
CID 104928841
2-[(2-cyclohexylacetyl)amino]-4-methylsulfanylbutanoic acid
CID 43183375
(2S)-2-[(2-cyclohexylacetyl)amino]propanoic acid
CID 51604978
2-[(2-cyclobutylacetyl)amino]butanedioic acid
CID 103162089
2-[(2-cyclohexylacetyl)amino]-4-methylsulfonylbutanoic acid
CID 43107936
(2S)-2-[(2-cyclohexylacetyl)amino]-5-ethoxy-5-oxopentanoic acid
CID 107039239
2-[(2-cyclopropylacetyl)amino]pentanoic acid
CID 43630437
(2S)-2-[(2-cyclobutylacetyl)amino]-4-hydroxybutanoic acid
CID 107822267
2-[(2-cyclobutylacetyl)amino]-4-hydroxybutanoic acid
CID 103161841
2-[(2-cyclopentylsulfonylacetyl)amino]butanoic acid
CID 119224037

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cycloheptylacetyl)amino]butanoic acid?
The IUPAC name of 2-[(2-cycloheptylacetyl)amino]butanoic acid (CID 115909894) is 2-[(2-cycloheptylacetyl)amino]butanoic acid.
What is the SMILES notation for 2-[(2-cycloheptylacetyl)amino]butanoic acid?
The canonical SMILES for 2-[(2-cycloheptylacetyl)amino]butanoic acid is CCC(NC(=O)CC1CCCCCC1)C(=O)O.
What is the InChIKey of 2-[(2-cycloheptylacetyl)amino]butanoic acid?
The InChIKey is LCSIBMXQLTYVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-2-11(13(16)17)14-12(15)9-10-7-5-3-4-6-8-10/h10-11H,2-9H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(2-cycloheptylacetyl)amino]butanoic acid?
2-[(2-cycloheptylacetyl)amino]butanoic acid has a molecular weight of 241.33 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cycloheptylacetyl)amino]butanoic acid is sourced from PubChem (CID 115909894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).