3-[(2-cyclopentylacetyl)amino]cyclopentane-1-carboxylic acid

C13H21NO3 — CID 66031106

IUPAC3-[(2-cyclopentylacetyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(CC1CCCC1)NC1CCC(C(=O)O)C1
InChIInChI=1S/C13H21NO3/c15-12(7-9-3-1-2-4-9)14-11-6-5-10(8-11)13(16)17/h9-11H,1-8H2,(H,14,15)(H,16,17)
InChIKeyLBOGADIGCASHHO-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.94
Rot. Bonds4

About 3-[(2-cyclopentylacetyl)amino]cyclopentane-1-carboxylic acid

3-[(2-cyclopentylacetyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 66031106) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 3-[(2-cyclopentylacetyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-cyclopentylacetyl)amino]cyclopentane-1-carboxylic acid
PubChem CID66031106
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name3-[(2-cyclopentylacetyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(CC1CCCC1)NC1CCC(C(=O)O)C1
InChIInChI=1S/C13H21NO3/c15-12(7-9-3-1-2-4-9)14-11-6-5-10(8-11)13(16)17/h9-11H,1-8H2,(H,14,15)(H,16,17)
InChIKeyLBOGADIGCASHHO-UHFFFAOYSA-N
XLogP1.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3S)-3-[(2-cyclopropylacetyl)amino]cyclopentane-1-carboxylic acid
CID 106320836
5-[[2-[5-[(2-cycloheptylacetyl)amino]cyclooctyl]acetyl]amino]cyclooctane-1-carboxylic acid
CID 163822868
N-(3-aminocyclopentyl)-2-cyclopentylacetamide
CID 115272899
cis-(1R,3S)-3-(4-cyclohexylbutanoylamino)cyclopentane-1-carboxylic acid
CID 106320958
3-[[2-(azetidin-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 64610824
(2S)-1-[4-[(2-cyclopentylacetyl)amino]cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid
CID 119365518
3-[[2-(cyclopropylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66031562
4-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclohexane-1-carboxylic acid
CID 120524479
cis-(1S,3R)-3-(3-cyclohexylbutanoylamino)cyclopentane-1-carboxylic acid
CID 120676482
N-cyclopentyl-2-cyclopropylacetamide
CID 60753480
3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66031304
cis-(1R,3S)-3-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678574

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopentylacetyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(2-cyclopentylacetyl)amino]cyclopentane-1-carboxylic acid (CID 66031106) is 3-[(2-cyclopentylacetyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(2-cyclopentylacetyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(2-cyclopentylacetyl)amino]cyclopentane-1-carboxylic acid is O=C(CC1CCCC1)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-[(2-cyclopentylacetyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is LBOGADIGCASHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c15-12(7-9-3-1-2-4-9)14-11-6-5-10(8-11)13(16)17/h9-11H,1-8H2,(H,14,15)(H,16,17).
What are the key properties of 3-[(2-cyclopentylacetyl)amino]cyclopentane-1-carboxylic acid?
3-[(2-cyclopentylacetyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 239.31 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopentylacetyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66031106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).