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

C12H21NO3 — CID 81367949

IUPAC1-[(3-methylbutanoylamino)methyl]cyclopentane-1-carboxylic acid
SMILESCC(C)CC(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C12H21NO3/c1-9(2)7-10(14)13-8-12(11(15)16)5-3-4-6-12/h9H,3-8H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyYKXUDJHWMPZBOS-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.79
Rot. Bonds5

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

1-[(3-methylbutanoylamino)methyl]cyclopentane-1-carboxylic acid (PubChem CID 81367949) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 1-[(3-methylbutanoylamino)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methylbutanoylamino)methyl]cyclopentane-1-carboxylic acid
PubChem CID81367949
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name1-[(3-methylbutanoylamino)methyl]cyclopentane-1-carboxylic acid
SMILESCC(C)CC(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C12H21NO3/c1-9(2)7-10(14)13-8-12(11(15)16)5-3-4-6-12/h9H,3-8H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyYKXUDJHWMPZBOS-UHFFFAOYSA-N
XLogP1.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-methylpentanoylamino)methyl]cyclopentane-1-carboxylic acid
CID 114873836
1-[(4-methylpentanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 113309622
1-[[(4-methoxy-3-methylbutanoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115432964
1-[(3,4,4-trimethylpentanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362424
1-[(3,3-dimethylbutanoylamino)methyl]cyclopentane-1-carboxylic acid
CID 81361889
1-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 120545063
1-[[(6-amino-4-methylhexanoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115433630
1-[(3-methoxypropanoylamino)methyl]cyclopentane-1-carboxylic acid
CID 81362446
1-[[(2-methoxyacetyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435584
1-[[3-(propan-2-ylamino)propanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450774
1-[[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115434048
1-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 104903843

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylbutanoylamino)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(3-methylbutanoylamino)methyl]cyclopentane-1-carboxylic acid (CID 81367949) is 1-[(3-methylbutanoylamino)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-methylbutanoylamino)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(3-methylbutanoylamino)methyl]cyclopentane-1-carboxylic acid is CC(C)CC(=O)NCC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[(3-methylbutanoylamino)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is YKXUDJHWMPZBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-9(2)7-10(14)13-8-12(11(15)16)5-3-4-6-12/h9H,3-8H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 1-[(3-methylbutanoylamino)methyl]cyclopentane-1-carboxylic acid?
1-[(3-methylbutanoylamino)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 227.30 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylbutanoylamino)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 81367949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).