1-[(3-methylpentanoylamino)methyl]cyclopentane-1-carboxylic acid

C13H23NO3 — CID 114873836

IUPAC1-[(3-methylpentanoylamino)methyl]cyclopentane-1-carboxylic acid
SMILESCCC(C)CC(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C13H23NO3/c1-3-10(2)8-11(15)14-9-13(12(16)17)6-4-5-7-13/h10H,3-9H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyBBCUWOSRGKKNOG-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.18
Rot. Bonds6

About 1-[(3-methylpentanoylamino)methyl]cyclopentane-1-carboxylic acid

1-[(3-methylpentanoylamino)methyl]cyclopentane-1-carboxylic acid (PubChem CID 114873836) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-[(3-methylpentanoylamino)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methylpentanoylamino)methyl]cyclopentane-1-carboxylic acid
PubChem CID114873836
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name1-[(3-methylpentanoylamino)methyl]cyclopentane-1-carboxylic acid
SMILESCCC(C)CC(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C13H23NO3/c1-3-10(2)8-11(15)14-9-13(12(16)17)6-4-5-7-13/h10H,3-9H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyBBCUWOSRGKKNOG-UHFFFAOYSA-N
XLogP2.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-methylbutanoylamino)methyl]cyclopentane-1-carboxylic acid
CID 81367949
1-[[(4-methoxy-3-methylbutanoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115432964
N-[(1-hydroxycyclopentyl)methyl]-3-methylpentanamide
CID 114875416
N-[[1-(bromomethyl)cyclopentyl]methyl]-3-methylpentanamide
CID 114877037
1-[(3,4,4-trimethylpentanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362424
4-[(3-methylhexanoylamino)methyl]oxane-4-carboxylic acid
CID 120542139
1-[(4-methylpentanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 113309622
1-[[(6-amino-4-methylhexanoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115433630
1-[(butanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362512
1-[[[butan-2-yl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436713
1-[[(4-amino-3-methylbutanoyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442615
1-[(2-ethylbutanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362342

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylpentanoylamino)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(3-methylpentanoylamino)methyl]cyclopentane-1-carboxylic acid (CID 114873836) is 1-[(3-methylpentanoylamino)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-methylpentanoylamino)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(3-methylpentanoylamino)methyl]cyclopentane-1-carboxylic acid is CCC(C)CC(=O)NCC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[(3-methylpentanoylamino)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is BBCUWOSRGKKNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-3-10(2)8-11(15)14-9-13(12(16)17)6-4-5-7-13/h10H,3-9H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 1-[(3-methylpentanoylamino)methyl]cyclopentane-1-carboxylic acid?
1-[(3-methylpentanoylamino)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 241.33 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylpentanoylamino)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114873836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).