2-[4-cyclohexylbutanoyl(cyclopentyl)amino]acetic acid

C17H29NO3 — CID 60825422

IUPAC2-[4-cyclohexylbutanoyl(cyclopentyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)CCCC1CCCCC1)C1CCCC1
InChIInChI=1S/C17H29NO3/c19-16(12-6-9-14-7-2-1-3-8-14)18(13-17(20)21)15-10-4-5-11-15/h14-15H,1-13H2,(H,20,21)
InChIKeyQLBZYDYDVJRYFK-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.59
Rot. Bonds7

About 2-[4-cyclohexylbutanoyl(cyclopentyl)amino]acetic acid

2-[4-cyclohexylbutanoyl(cyclopentyl)amino]acetic acid (PubChem CID 60825422) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 2-[4-cyclohexylbutanoyl(cyclopentyl)amino]acetic acid.

Molecular Properties

Compound Name2-[4-cyclohexylbutanoyl(cyclopentyl)amino]acetic acid
PubChem CID60825422
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name2-[4-cyclohexylbutanoyl(cyclopentyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)CCCC1CCCCC1)C1CCCC1
InChIInChI=1S/C17H29NO3/c19-16(12-6-9-14-7-2-1-3-8-14)18(13-17(20)21)15-10-4-5-11-15/h14-15H,1-13H2,(H,20,21)
InChIKeyQLBZYDYDVJRYFK-UHFFFAOYSA-N
XLogP3.59
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-cyclohexylpropanoyl(cyclopropyl)amino]acetic acid
CID 54946141
2-[(2-cyclohexylacetyl)-cyclopentylamino]acetic acid
CID 60826296
2-[5-aminohexanoyl(cyclopentyl)amino]acetic acid
CID 82851549
4-cyclohexylbutanoic acid;λ2-plumbane
CID 173062750
CID 131865884
CID 131865884
6-[cyclohexylmethyl(cyclopropyl)amino]-6-oxohexanoic acid
CID 60949466
4-cyclohexyl-N-methylbutanehydrazide
CID 116845177
4-cyclohexylbutanoate;oxalic acid
CID 91198160
N-(2-chloroethyl)-N,3-dicyclohexylpropanamide
CID 63391329
2-[cyclopropyl(nonanoyl)amino]acetic acid
CID 54945844
7-cyclohexylheptanoic acid
CID 71560336
4-cyclohexylbutanoate;lead(2+)
CID 21118991

Frequently Asked Questions

What is the IUPAC name of 2-[4-cyclohexylbutanoyl(cyclopentyl)amino]acetic acid?
The IUPAC name of 2-[4-cyclohexylbutanoyl(cyclopentyl)amino]acetic acid (CID 60825422) is 2-[4-cyclohexylbutanoyl(cyclopentyl)amino]acetic acid.
What is the SMILES notation for 2-[4-cyclohexylbutanoyl(cyclopentyl)amino]acetic acid?
The canonical SMILES for 2-[4-cyclohexylbutanoyl(cyclopentyl)amino]acetic acid is O=C(O)CN(C(=O)CCCC1CCCCC1)C1CCCC1.
What is the InChIKey of 2-[4-cyclohexylbutanoyl(cyclopentyl)amino]acetic acid?
The InChIKey is QLBZYDYDVJRYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c19-16(12-6-9-14-7-2-1-3-8-14)18(13-17(20)21)15-10-4-5-11-15/h14-15H,1-13H2,(H,20,21).
What are the key properties of 2-[4-cyclohexylbutanoyl(cyclopentyl)amino]acetic acid?
2-[4-cyclohexylbutanoyl(cyclopentyl)amino]acetic acid has a molecular weight of 295.42 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyclohexylbutanoyl(cyclopentyl)amino]acetic acid is sourced from PubChem (CID 60825422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).