2-[(1-methylcyclopropyl)methylcarbamoyl]cyclopropane-1-carboxylic acid

C10H15NO3 — CID 103790364

IUPAC2-[(1-methylcyclopropyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCC1(CNC(=O)C2CC2C(=O)O)CC1
InChIInChI=1S/C10H15NO3/c1-10(2-3-10)5-11-8(12)6-4-7(6)9(13)14/h6-7H,2-5H2,1H3,(H,11,12)(H,13,14)
InChIKeyQXJUEGRUQFOURR-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.62
Rot. Bonds4

About 2-[(1-methylcyclopropyl)methylcarbamoyl]cyclopropane-1-carboxylic acid

2-[(1-methylcyclopropyl)methylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 103790364) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-[(1-methylcyclopropyl)methylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(1-methylcyclopropyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID103790364
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-[(1-methylcyclopropyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCC1(CNC(=O)C2CC2C(=O)O)CC1
InChIInChI=1S/C10H15NO3/c1-10(2-3-10)5-11-8(12)6-4-7(6)9(13)14/h6-7H,2-5H2,1H3,(H,11,12)(H,13,14)
InChIKeyQXJUEGRUQFOURR-UHFFFAOYSA-N
XLogP0.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(1-methylcyclobutyl)methyl]cyclopropane-1-carboxamide
CID 130727562
2-(ethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 45084458
cis-(1R,2S)-2-[(1-ethylcyclopropyl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114099275
2-[(1-ethylcyclopropyl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114099268
N-[(1-methylcyclopropyl)methyl]cyclopropanecarboxamide
CID 103722140
cis-(1R,2S)-4-methyl-2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114114631
N-[(1-methylcyclopropyl)methyl]cyclobutanecarboxamide
CID 127018359
2-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 79558305
2-(4-hydroxypentylcarbamoyl)cyclopropane-1-carboxylic acid
CID 106120324
2-(methylcarbamoyl)cyclopropane-1-carboxylic acid
CID 45084193
3-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 107164990
2-[(2,2-dimethylcyclobutyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 130555726

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylcyclopropyl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(1-methylcyclopropyl)methylcarbamoyl]cyclopropane-1-carboxylic acid (CID 103790364) is 2-[(1-methylcyclopropyl)methylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(1-methylcyclopropyl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(1-methylcyclopropyl)methylcarbamoyl]cyclopropane-1-carboxylic acid is CC1(CNC(=O)C2CC2C(=O)O)CC1.
What is the InChIKey of 2-[(1-methylcyclopropyl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is QXJUEGRUQFOURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-10(2-3-10)5-11-8(12)6-4-7(6)9(13)14/h6-7H,2-5H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-[(1-methylcyclopropyl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
2-[(1-methylcyclopropyl)methylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 197.23 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylcyclopropyl)methylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 103790364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).