cis-(1S,2R)-2-[ethyl(2-methylpropyl)carbamoyl]cyclopropane-1-carboxylic acid

C11H19NO3 — CID 93344004

IUPACcis-(1S,2R)-2-[ethyl(2-methylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCCN(CC(C)C)C(=O)[C@@H]1C[C@@H]1C(=O)O
InChIInChI=1S/C11H19NO3/c1-4-12(6-7(2)3)10(13)8-5-9(8)11(14)15/h7-9H,4-6H2,1-3H3,(H,14,15)/t8-,9+/m1/s1
InChIKeyVCFXJDRJLGLTHA-BDAKNGLRSA-N
MW213.28 g/mol
LogP1.21
Rot. Bonds5

About cis-(1S,2R)-2-[ethyl(2-methylpropyl)carbamoyl]cyclopropane-1-carboxylic acid

cis-(1S,2R)-2-[ethyl(2-methylpropyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 93344004) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is cis-(1S,2R)-2-[ethyl(2-methylpropyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[ethyl(2-methylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID93344004
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namecis-(1S,2R)-2-[ethyl(2-methylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCCN(CC(C)C)C(=O)[C@@H]1C[C@@H]1C(=O)O
InChIInChI=1S/C11H19NO3/c1-4-12(6-7(2)3)10(13)8-5-9(8)11(14)15/h7-9H,4-6H2,1-3H3,(H,14,15)/t8-,9+/m1/s1
InChIKeyVCFXJDRJLGLTHA-BDAKNGLRSA-N
XLogP1.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-2-[ethyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93311627
2-[2-cyanoethyl(2-methylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 54876322
cis-(1S,2R)-2-[(3-methoxy-3-oxopropyl)-(2-methylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93378828
2-[2-methylpropyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60948640
2-amino-N-ethyl-5-methyl-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 65453771
cis-(1R,2S)-4-methyl-2-[2-methylpropyl(propan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114091957
2-[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 103187928
cis-(1R,2S)-2-[bis(2-methylpropyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 847386
4-ethyl-2-[methyl(2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114511275
cis-(1S,2R)-2-[cyclopropyl(3-methylbutyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93377490
2-[ethyl(prop-2-enyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114391246
2-[3-(dimethylamino)propyl-ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 102991709

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[ethyl(2-methylpropyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[ethyl(2-methylpropyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 93344004) is cis-(1S,2R)-2-[ethyl(2-methylpropyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[ethyl(2-methylpropyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[ethyl(2-methylpropyl)carbamoyl]cyclopropane-1-carboxylic acid is CCN(CC(C)C)C(=O)[C@@H]1C[C@@H]1C(=O)O.
What is the InChIKey of cis-(1S,2R)-2-[ethyl(2-methylpropyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is VCFXJDRJLGLTHA-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-12(6-7(2)3)10(13)8-5-9(8)11(14)15/h7-9H,4-6H2,1-3H3,(H,14,15)/t8-,9+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[ethyl(2-methylpropyl)carbamoyl]cyclopropane-1-carboxylic acid?
cis-(1S,2R)-2-[ethyl(2-methylpropyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[ethyl(2-methylpropyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 93344004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).