2-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]-2-cyclopropylacetic acid

C13H21N3O3 — CID 62711229

IUPAC2-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]-2-cyclopropylacetic acid
SMILESCC(C)CN(CCC#N)C(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C13H21N3O3/c1-9(2)8-16(7-3-6-14)13(19)15-11(12(17)18)10-4-5-10/h9-11H,3-5,7-8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyWNHWWENETNUXOT-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.43
Rot. Bonds7

About 2-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]-2-cyclopropylacetic acid

2-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]-2-cyclopropylacetic acid (PubChem CID 62711229) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]-2-cyclopropylacetic acid
PubChem CID62711229
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]-2-cyclopropylacetic acid
SMILESCC(C)CN(CCC#N)C(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C13H21N3O3/c1-9(2)8-16(7-3-6-14)13(19)15-11(12(17)18)10-4-5-10/h9-11H,3-5,7-8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyWNHWWENETNUXOT-UHFFFAOYSA-N
XLogP1.43
TPSA93.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]-2-cyclopropylacetic 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

2-[[2-cyanoethyl(methyl)carbamoyl]amino]-2-cyclopropylacetic acid
CID 62710183
(2R)-2-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]propanoic acid
CID 78974760
(2R)-2-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976412
2-cyclohexyl-2-[[ethyl(2-methylpropyl)carbamoyl]amino]acetic acid
CID 61197769
(2S)-2-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63305294
(2S)-3-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]-2-hydroxypropanoic acid
CID 114007394
4-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992252
2-cyclohexyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]acetic acid
CID 61195307
3-[[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]methyl]pentanoic acid
CID 81070027
2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62697339
2-cyclopropyl-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]acetic acid
CID 62709513
2-[2-cyanoethyl(2-methylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 54876322

Frequently Asked Questions

What is the IUPAC name of 2-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]-2-cyclopropylacetic acid (CID 62711229) is 2-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]-2-cyclopropylacetic acid is CC(C)CN(CCC#N)C(=O)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]-2-cyclopropylacetic acid?
The InChIKey is WNHWWENETNUXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9(2)8-16(7-3-6-14)13(19)15-11(12(17)18)10-4-5-10/h9-11H,3-5,7-8H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]-2-cyclopropylacetic acid?
2-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]-2-cyclopropylacetic acid has a molecular weight of 267.33 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]-2-cyclopropylacetic acid is sourced from PubChem (CID 62711229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).