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

C10H15N3O3 — CID 62710183

IUPAC2-[[2-cyanoethyl(methyl)carbamoyl]amino]-2-cyclopropylacetic acid
SMILESCN(CCC#N)C(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C10H15N3O3/c1-13(6-2-5-11)10(16)12-8(9(14)15)7-3-4-7/h7-8H,2-4,6H2,1H3,(H,12,16)(H,14,15)
InChIKeyKEVMCIZMIBXDAC-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.40
Rot. Bonds5

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

2-[[2-cyanoethyl(methyl)carbamoyl]amino]-2-cyclopropylacetic acid (PubChem CID 62710183) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[[2-cyanoethyl(methyl)carbamoyl]amino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[[2-cyanoethyl(methyl)carbamoyl]amino]-2-cyclopropylacetic acid
PubChem CID62710183
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-[[2-cyanoethyl(methyl)carbamoyl]amino]-2-cyclopropylacetic acid
SMILESCN(CCC#N)C(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C10H15N3O3/c1-13(6-2-5-11)10(16)12-8(9(14)15)7-3-4-7/h7-8H,2-4,6H2,1H3,(H,12,16)(H,14,15)
InChIKeyKEVMCIZMIBXDAC-UHFFFAOYSA-N
XLogP0.40
TPSA93.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]-2-cyclopropylacetic acid
CID 62711229
2-cyclopropyl-2-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]amino]acetic acid
CID 114950871
2-[[2-cyanoethyl(methyl)carbamoyl]amino]-3-hydroxybutanoic acid
CID 61184178
2-cyclopropyl-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]acetic acid
CID 55257507
2-cyclopropyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]acetic acid
CID 63235139
2-cyclopropyl-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]acetic acid
CID 106917371
2-cyclohexyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]acetic acid
CID 61195307
2-cyclopropyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid
CID 62711742
1-[[2-cyanoethyl(methyl)carbamoyl]amino]-4-methylcyclohexane-1-carboxylic acid
CID 61184362
2-[[2-[[2-cyanoethyl(methyl)carbamoyl]amino]acetyl]amino]acetic acid
CID 61184711
2-cyclopropyl-2-[2-(dimethylamino)ethylcarbamoylamino]acetic acid
CID 62695644
(Z)-4-[[2-cyanoethyl(methyl)carbamoyl]amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 55169651

Frequently Asked Questions

What is the IUPAC name of 2-[[2-cyanoethyl(methyl)carbamoyl]amino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[[2-cyanoethyl(methyl)carbamoyl]amino]-2-cyclopropylacetic acid (CID 62710183) is 2-[[2-cyanoethyl(methyl)carbamoyl]amino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[[2-cyanoethyl(methyl)carbamoyl]amino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[[2-cyanoethyl(methyl)carbamoyl]amino]-2-cyclopropylacetic acid is CN(CCC#N)C(=O)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-[[2-cyanoethyl(methyl)carbamoyl]amino]-2-cyclopropylacetic acid?
The InChIKey is KEVMCIZMIBXDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-13(6-2-5-11)10(16)12-8(9(14)15)7-3-4-7/h7-8H,2-4,6H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 2-[[2-cyanoethyl(methyl)carbamoyl]amino]-2-cyclopropylacetic acid?
2-[[2-cyanoethyl(methyl)carbamoyl]amino]-2-cyclopropylacetic acid has a molecular weight of 225.25 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-cyanoethyl(methyl)carbamoyl]amino]-2-cyclopropylacetic acid is sourced from PubChem (CID 62710183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).