2-[2-methylpropyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid

C12H21NO3 — CID 60948640

IUPAC2-[2-methylpropyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(C)CN(C(=O)C1CC1C(=O)O)C(C)C
InChIInChI=1S/C12H21NO3/c1-7(2)6-13(8(3)4)11(14)9-5-10(9)12(15)16/h7-10H,5-6H2,1-4H3,(H,15,16)
InChIKeyGSZQQLREXAPNMR-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.60
Rot. Bonds5

About 2-[2-methylpropyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid

2-[2-methylpropyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 60948640) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-[2-methylpropyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-methylpropyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID60948640
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-[2-methylpropyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(C)CN(C(=O)C1CC1C(=O)O)C(C)C
InChIInChI=1S/C12H21NO3/c1-7(2)6-13(8(3)4)11(14)9-5-10(9)12(15)16/h7-10H,5-6H2,1-4H3,(H,15,16)
InChIKeyGSZQQLREXAPNMR-UHFFFAOYSA-N
XLogP1.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-methylpropyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1R,2S)-4-methyl-2-[2-methylpropyl(propan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114091957
cis-(1S,2R)-2-[ethyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93311627
(1S,6R)-6-[2-methylpropyl(propan-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 58666340
2-[propan-2-yl(prop-2-enyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60948460
cis-(1S,2R)-2-[ethyl(2-methylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93344004
cis-(1S,2R)-2-[benzyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93320338
cis-(1S,2R)-2-[cyclopropyl(3-methylbutyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93377490
2-[2-cyanoethyl(2-methylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 54876322
4-ethyl-2-[methyl(2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114511275
cis-(1S,2R)-2-[propan-2-yl(pyridin-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93378868
cis-(1S,2R)-2-[(3-methoxy-3-oxopropyl)-(2-methylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93378828
2-[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 103187928

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[2-methylpropyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid (CID 60948640) is 2-[2-methylpropyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[2-methylpropyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[2-methylpropyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid is CC(C)CN(C(=O)C1CC1C(=O)O)C(C)C.
What is the InChIKey of 2-[2-methylpropyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is GSZQQLREXAPNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-7(2)6-13(8(3)4)11(14)9-5-10(9)12(15)16/h7-10H,5-6H2,1-4H3,(H,15,16).
What are the key properties of 2-[2-methylpropyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid?
2-[2-methylpropyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 227.30 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60948640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).