1-[(3-methyl-2-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid

C11H12N2O3 — CID 62095862

IUPAC1-[(3-methyl-2-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1cccnc1NC(=O)C1(C(=O)O)CC1
InChIInChI=1S/C11H12N2O3/c1-7-3-2-6-12-8(7)13-9(14)11(4-5-11)10(15)16/h2-3,6H,4-5H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyRDMCJIPLVNSSSG-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.19
Rot. Bonds3

About 1-[(3-methyl-2-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid

1-[(3-methyl-2-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 62095862) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 1-[(3-methyl-2-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methyl-2-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID62095862
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name1-[(3-methyl-2-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1cccnc1NC(=O)C1(C(=O)O)CC1
InChIInChI=1S/C11H12N2O3/c1-7-3-2-6-12-8(7)13-9(14)11(4-5-11)10(15)16/h2-3,6H,4-5H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyRDMCJIPLVNSSSG-UHFFFAOYSA-N
XLogP1.19
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(3-methyl-2-pyridinyl)adamantane-1-carboxamide
CID 3142834
1-(aminomethyl)-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 80587648
1-[(2-methyl-3-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 79044431
1-(pyridin-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62095693
1-cyano-N-(3-methyl-2-pyridinyl)cyclopentane-1-carboxamide
CID 60717449
1-(benzenesulfonyl)-N-(3-methyl-2-pyridinyl)cyclopentane-1-carboxamide
CID 23732618
2-methyl-N-(3-methyl-2-pyridinyl)piperidine-2-carboxamide
CID 104596093
1-methyl-3-(3-methyl-2-pyridinyl)urea
CID 17171367
3,3-dimethyl-N-(3-methyl-2-pyridinyl)-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 4728643
2,2-dimethyl-N-(3-methyl-2-pyridinyl)propanamide
CID 1479965
N-(3-methyl-2-pyridinyl)prop-2-enamide
CID 43616345
1-(pyrimidin-2-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62095217

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-2-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(3-methyl-2-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 62095862) is 1-[(3-methyl-2-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-methyl-2-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(3-methyl-2-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid is Cc1cccnc1NC(=O)C1(C(=O)O)CC1.
What is the InChIKey of 1-[(3-methyl-2-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is RDMCJIPLVNSSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-7-3-2-6-12-8(7)13-9(14)11(4-5-11)10(15)16/h2-3,6H,4-5H2,1H3,(H,15,16)(H,12,13,14).
What are the key properties of 1-[(3-methyl-2-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid?
1-[(3-methyl-2-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 220.23 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-2-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 62095862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).