2-(methylcarbamoyl)cyclopropane-1-carboxylic acid

C6H9NO3 — CID 45084193

IUPAC2-(methylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESCNC(=O)C1CC1C(=O)O
InChIInChI=1S/C6H9NO3/c1-7-5(8)3-2-4(3)6(9)10/h3-4H,2H2,1H3,(H,7,8)(H,9,10)
InChIKeyJXULYJQYZSCSTD-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.55
Rot. Bonds2

About 2-(methylcarbamoyl)cyclopropane-1-carboxylic acid

2-(methylcarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 45084193) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 2-(methylcarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(methylcarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID45084193
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name2-(methylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESCNC(=O)C1CC1C(=O)O
InChIInChI=1S/C6H9NO3/c1-7-5(8)3-2-4(3)6(9)10/h3-4H,2H2,1H3,(H,7,8)(H,9,10)
InChIKeyJXULYJQYZSCSTD-UHFFFAOYSA-N
XLogP-0.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-2-acetyl-N-methylcyclopropane-1-carboxamide
CID 89112285
2-[1-(methylamino)ethenyl]cyclopropane-1-carboxylic acid
CID 155310064
cis-(1R,2S)-cyclopropane-1,2-dicarboxylic acid
CID 726455
(1S)-4-methoxy-2-(methylcarbamoyl)cyclohexane-1-carboxylic acid;yttrium
CID 159970528
2-(ethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 45084458
trans-(1R,2R)-2-(propan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93311717
cis-(1R,2R)-2-fluoro-N-methylcyclopropane-1-carboxamide
CID 118178176
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3,6,7-tetracarboxylic acid
CID 67173351
N-methyl-2-(methylamino)cyclopropane-1-carboxamide
CID 134458689
(2R,3R,5R)-2,3,4,5-tetrahydroxy-N-methylcyclohexane-1-carboxamide
CID 91283477
4-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
CID 114390822
2-(6-methylheptan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 60790622

Frequently Asked Questions

What is the IUPAC name of 2-(methylcarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(methylcarbamoyl)cyclopropane-1-carboxylic acid (CID 45084193) is 2-(methylcarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(methylcarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(methylcarbamoyl)cyclopropane-1-carboxylic acid is CNC(=O)C1CC1C(=O)O.
What is the InChIKey of 2-(methylcarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is JXULYJQYZSCSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-7-5(8)3-2-4(3)6(9)10/h3-4H,2H2,1H3,(H,7,8)(H,9,10).
What are the key properties of 2-(methylcarbamoyl)cyclopropane-1-carboxylic acid?
2-(methylcarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 143.14 g/mol, XLogP of -0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylcarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 45084193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).