1-[(2-methylcyclohexanecarbonyl)amino]cyclopropane-1-carboxylic acid

C12H19NO3 — CID 122129367

IUPAC1-[(2-methylcyclohexanecarbonyl)amino]cyclopropane-1-carboxylic acid
SMILESCC1CCCCC1C(=O)NC1(C(=O)O)CC1
InChIInChI=1S/C12H19NO3/c1-8-4-2-3-5-9(8)10(14)13-12(6-7-12)11(15)16/h8-9H,2-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyULLQIWXBJLIQJC-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.55
Rot. Bonds3

About 1-[(2-methylcyclohexanecarbonyl)amino]cyclopropane-1-carboxylic acid

1-[(2-methylcyclohexanecarbonyl)amino]cyclopropane-1-carboxylic acid (PubChem CID 122129367) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-[(2-methylcyclohexanecarbonyl)amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methylcyclohexanecarbonyl)amino]cyclopropane-1-carboxylic acid
PubChem CID122129367
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name1-[(2-methylcyclohexanecarbonyl)amino]cyclopropane-1-carboxylic acid
SMILESCC1CCCCC1C(=O)NC1(C(=O)O)CC1
InChIInChI=1S/C12H19NO3/c1-8-4-2-3-5-9(8)10(14)13-12(6-7-12)11(15)16/h8-9H,2-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyULLQIWXBJLIQJC-UHFFFAOYSA-N
XLogP1.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-methylcyclopentanecarbonyl)amino]cyclopropane-1-carboxylic acid
CID 107175622
1-[(2-methylcyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid
CID 107175126
1-[(3-methyloxane-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 114240909
2-methylcyclooctane-1-carboxylic acid
CID 21039885
1-(cyclopentanecarbonylamino)-4-methylcyclohexane-1-carboxylic acid
CID 43341471
1-[(2-methyloxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 79750991
1-(cyclopentanecarbonylamino)cyclobutane-1-carboxylic acid
CID 81158706
1-(bicyclo[4.1.0]heptane-7-carbonylamino)cyclohexane-1-carboxylic acid
CID 81356177
(1S)-2-methylcyclohexane-1-carboxylic acid
CID 89206969
2-methylcyclohexane-1-carboxylic acid;dihydrochloride
CID 90238967
4-methyl-1-[(3-methylpiperidine-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 107067899
2-[(2-methylcyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid
CID 107175594

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylcyclohexanecarbonyl)amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(2-methylcyclohexanecarbonyl)amino]cyclopropane-1-carboxylic acid (CID 122129367) is 1-[(2-methylcyclohexanecarbonyl)amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-methylcyclohexanecarbonyl)amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(2-methylcyclohexanecarbonyl)amino]cyclopropane-1-carboxylic acid is CC1CCCCC1C(=O)NC1(C(=O)O)CC1.
What is the InChIKey of 1-[(2-methylcyclohexanecarbonyl)amino]cyclopropane-1-carboxylic acid?
The InChIKey is ULLQIWXBJLIQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-8-4-2-3-5-9(8)10(14)13-12(6-7-12)11(15)16/h8-9H,2-7H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 1-[(2-methylcyclohexanecarbonyl)amino]cyclopropane-1-carboxylic acid?
1-[(2-methylcyclohexanecarbonyl)amino]cyclopropane-1-carboxylic acid has a molecular weight of 225.29 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylcyclohexanecarbonyl)amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 122129367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).