2-[[1-(benzylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid

C15H18N2O4 — CID 119182498

IUPAC2-[[1-(benzylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(NC(=O)C1CC1C(=O)O)C(=O)NCc1ccccc1
InChIInChI=1S/C15H18N2O4/c1-9(17-14(19)11-7-12(11)15(20)21)13(18)16-8-10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyGJQVPHUSFSQZLV-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.53
Rot. Bonds6

About 2-[[1-(benzylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid

2-[[1-(benzylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 119182498) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[[1-(benzylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[1-(benzylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID119182498
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-[[1-(benzylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(NC(=O)C1CC1C(=O)O)C(=O)NCc1ccccc1
InChIInChI=1S/C15H18N2O4/c1-9(17-14(19)11-7-12(11)15(20)21)13(18)16-8-10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyGJQVPHUSFSQZLV-UHFFFAOYSA-N
XLogP0.53
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[1-(benzylamino)-1-oxopropan-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

N-[1-(benzylamino)-1-oxopropan-2-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110014271
cis-(1R,2S)-2-(benzylcarbamoyl)cyclopropane-1-carboxylic acid
CID 51776902
trans-(1R,2R)-N-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide
CID 124777197
2-[(2-aminoacetyl)amino]-N-benzylpropanamide
CID 119304547
3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119750964
N-benzyl-2-(methylcarbamoylamino)propanamide
CID 47377374
(2S)-2-acetamido-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]propanamide
CID 167024593
cis-(1S,2R)-2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 114092791
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 54209319
N-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119304562
(3S)-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 124566921
(2S)-N-benzyl-2-methylcyclopropane-1-carboxamide
CID 164843692

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(benzylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[1-(benzylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid (CID 119182498) is 2-[[1-(benzylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[1-(benzylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[1-(benzylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid is CC(NC(=O)C1CC1C(=O)O)C(=O)NCc1ccccc1.
What is the InChIKey of 2-[[1-(benzylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is GJQVPHUSFSQZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-9(17-14(19)11-7-12(11)15(20)21)13(18)16-8-10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3,(H,16,18)(H,17,19)(H,20,21).
What are the key properties of 2-[[1-(benzylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid?
2-[[1-(benzylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 0.53, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(benzylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 119182498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).