2-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]cyclopentane-1-carboxylic acid

C13H21NO3 — CID 103978797

IUPAC2-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC1CC1CN(C)C(=O)C1CCCC1C(=O)O
InChIInChI=1S/C13H21NO3/c1-8-6-9(8)7-14(2)12(15)10-4-3-5-11(10)13(16)17/h8-11H,3-7H2,1-2H3,(H,16,17)
InChIKeyKRPKBMXZDJXIJG-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.60
Rot. Bonds4

About 2-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]cyclopentane-1-carboxylic acid

2-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103978797) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103978797
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC1CC1CN(C)C(=O)C1CCCC1C(=O)O
InChIInChI=1S/C13H21NO3/c1-8-6-9(8)7-14(2)12(15)10-4-3-5-11(10)13(16)17/h8-11H,3-7H2,1-2H3,(H,16,17)
InChIKeyKRPKBMXZDJXIJG-UHFFFAOYSA-N
XLogP1.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-hydroxyethyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978359
(2R,5S)-5-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 102945282
2-[(2-amino-2-oxoethyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103977737
2-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978420
2-[methyl-[2-(methylamino)ethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103978815
trans-(1R,2R)-2-[[2-(hydroxyamino)-2-oxoethyl]-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 10037452
2-[cyclohexyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103977670
2-[methyl(3,3,3-trifluoropropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978888
N-methyl-N-[(2-methylcyclopropyl)methyl]acetamide
CID 64592009
2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120976777
2-[cyclohexyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 16792487
(3R)-N-methyl-N-[(2-methylcyclopropyl)methyl]piperidine-3-carboxamide
CID 81139885

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]cyclopentane-1-carboxylic acid (CID 103978797) is 2-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]cyclopentane-1-carboxylic acid is CC1CC1CN(C)C(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is KRPKBMXZDJXIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-8-6-9(8)7-14(2)12(15)10-4-3-5-11(10)13(16)17/h8-11H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 2-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]cyclopentane-1-carboxylic acid?
2-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 239.31 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103978797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).