1-[(3,3-dimethylbutanoylamino)methyl]cyclopentane-1-carboxylic acid

C13H23NO3 — CID 81361889

IUPAC1-[(3,3-dimethylbutanoylamino)methyl]cyclopentane-1-carboxylic acid
SMILESCC(C)(C)CC(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C13H23NO3/c1-12(2,3)8-10(15)14-9-13(11(16)17)6-4-5-7-13/h4-9H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyZLRNJEHKYXNOEZ-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.18
Rot. Bonds4

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

1-[(3,3-dimethylbutanoylamino)methyl]cyclopentane-1-carboxylic acid (PubChem CID 81361889) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-[(3,3-dimethylbutanoylamino)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3,3-dimethylbutanoylamino)methyl]cyclopentane-1-carboxylic acid
PubChem CID81361889
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name1-[(3,3-dimethylbutanoylamino)methyl]cyclopentane-1-carboxylic acid
SMILESCC(C)(C)CC(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C13H23NO3/c1-12(2,3)8-10(15)14-9-13(11(16)17)6-4-5-7-13/h4-9H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyZLRNJEHKYXNOEZ-UHFFFAOYSA-N
XLogP2.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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-[(2,2-dimethylpropanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115435631
1-[(3-methylbutanoylamino)methyl]cyclopentane-1-carboxylic acid
CID 81367949
1-[[(2-amino-2-methylpropanoyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115444450
1-[[(2-methoxyacetyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435584
1-[(3-methoxypropanoylamino)methyl]cyclopentane-1-carboxylic acid
CID 81362446
1-[(3,4,4-trimethylpentanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362424
1-[(butanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362512
1-[(4-methylpentanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 113309622
1-[(2,2-dimethylpropylamino)methyl]cyclobutane-1-carboxylic acid
CID 115246491
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3,3-dimethylbutanamide
CID 114758016
1-[(3-methylsulfanylpropanoylamino)methyl]cycloheptane-1-carboxylic acid
CID 115443463
1-[(3-methylpentanoylamino)methyl]cyclopentane-1-carboxylic acid
CID 114873836

Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-dimethylbutanoylamino)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(3,3-dimethylbutanoylamino)methyl]cyclopentane-1-carboxylic acid (CID 81361889) is 1-[(3,3-dimethylbutanoylamino)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(3,3-dimethylbutanoylamino)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(3,3-dimethylbutanoylamino)methyl]cyclopentane-1-carboxylic acid is CC(C)(C)CC(=O)NCC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[(3,3-dimethylbutanoylamino)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is ZLRNJEHKYXNOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-12(2,3)8-10(15)14-9-13(11(16)17)6-4-5-7-13/h4-9H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 1-[(3,3-dimethylbutanoylamino)methyl]cyclopentane-1-carboxylic acid?
1-[(3,3-dimethylbutanoylamino)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 241.33 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-dimethylbutanoylamino)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 81361889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).