2-[3-cyclohexylpropanoyl(cyclopropyl)amino]acetic acid

C14H23NO3 — CID 54946141

IUPAC2-[3-cyclohexylpropanoyl(cyclopropyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)CCC1CCCCC1)C1CC1
InChIInChI=1S/C14H23NO3/c16-13(9-6-11-4-2-1-3-5-11)15(10-14(17)18)12-7-8-12/h11-12H,1-10H2,(H,17,18)
InChIKeyDXXDNFNSQKMPMC-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.42
Rot. Bonds6

About 2-[3-cyclohexylpropanoyl(cyclopropyl)amino]acetic acid

2-[3-cyclohexylpropanoyl(cyclopropyl)amino]acetic acid (PubChem CID 54946141) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-[3-cyclohexylpropanoyl(cyclopropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[3-cyclohexylpropanoyl(cyclopropyl)amino]acetic acid
PubChem CID54946141
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-[3-cyclohexylpropanoyl(cyclopropyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)CCC1CCCCC1)C1CC1
InChIInChI=1S/C14H23NO3/c16-13(9-6-11-4-2-1-3-5-11)15(10-14(17)18)12-7-8-12/h11-12H,1-10H2,(H,17,18)
InChIKeyDXXDNFNSQKMPMC-UHFFFAOYSA-N
XLogP2.42
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-cyclohexylbutanoyl(cyclopentyl)amino]acetic acid
CID 60825422
N-(2-chloroethyl)-3-cyclohexyl-N-cyclopropylpropanamide
CID 55186483
2-[(2-cyclohexylacetyl)-cyclopentylamino]acetic acid
CID 60826296
N-(2-chloroethyl)-3-cyclopentyl-N-cyclopropylpropanamide
CID 63394667
N-(2-chloroethyl)-N,3-dicyclohexylpropanamide
CID 63391329
2-[cyclopropyl-[3-[(2S)-oxolan-2-yl]propanoyl]amino]acetic acid
CID 93332934
N-(2-bromoethyl)-N-cyclobutyl-3-cyclopentylpropanamide
CID 102873270
N-(azetidin-3-yl)-3-cyclohexyl-N-ethylpropanamide
CID 66182762
3-cyclohexyl-N-cyclopropyl-N-(piperidin-3-ylmethyl)propanamide
CID 106628725
N-cyclohexyl-3-cyclopentyl-N-methylpropanamide
CID 86976959
6-[cyclohexylmethyl(cyclopropyl)amino]-6-oxohexanoic acid
CID 60949466
2-[butan-2-yl(3-cyclopentylpropanoyl)amino]acetic acid
CID 60828220

Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclohexylpropanoyl(cyclopropyl)amino]acetic acid?
The IUPAC name of 2-[3-cyclohexylpropanoyl(cyclopropyl)amino]acetic acid (CID 54946141) is 2-[3-cyclohexylpropanoyl(cyclopropyl)amino]acetic acid.
What is the SMILES notation for 2-[3-cyclohexylpropanoyl(cyclopropyl)amino]acetic acid?
The canonical SMILES for 2-[3-cyclohexylpropanoyl(cyclopropyl)amino]acetic acid is O=C(O)CN(C(=O)CCC1CCCCC1)C1CC1.
What is the InChIKey of 2-[3-cyclohexylpropanoyl(cyclopropyl)amino]acetic acid?
The InChIKey is DXXDNFNSQKMPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c16-13(9-6-11-4-2-1-3-5-11)15(10-14(17)18)12-7-8-12/h11-12H,1-10H2,(H,17,18).
What are the key properties of 2-[3-cyclohexylpropanoyl(cyclopropyl)amino]acetic acid?
2-[3-cyclohexylpropanoyl(cyclopropyl)amino]acetic acid has a molecular weight of 253.34 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyclohexylpropanoyl(cyclopropyl)amino]acetic acid is sourced from PubChem (CID 54946141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).