2-cyclopropyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid

C13H21N3O4 — CID 62711742

IUPAC2-cyclopropyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid
SMILESCN(CC(=O)N1CCCC1)C(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C13H21N3O4/c1-15(8-10(17)16-6-2-3-7-16)13(20)14-11(12(18)19)9-4-5-9/h9,11H,2-8H2,1H3,(H,14,20)(H,18,19)
InChIKeyCKWTZHZZDOYVOB-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.11
Rot. Bonds5

About 2-cyclopropyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid

2-cyclopropyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid (PubChem CID 62711742) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid
PubChem CID62711742
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name2-cyclopropyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid
SMILESCN(CC(=O)N1CCCC1)C(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C13H21N3O4/c1-15(8-10(17)16-6-2-3-7-16)13(20)14-11(12(18)19)9-4-5-9/h9,11H,2-8H2,1H3,(H,14,20)(H,18,19)
InChIKeyCKWTZHZZDOYVOB-UHFFFAOYSA-N
XLogP0.11
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid with MolForge

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Related Compounds

(2S)-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid
CID 78971244
(2R)-4-hydroxy-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid
CID 107826693
4-methyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]pentanoic acid
CID 61439871
3-methoxy-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid
CID 81086138
(2R)-4-amino-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107826694
3-cyclopropyl-3-hydroxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
CID 156723433
2-cyclopropyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]acetic acid
CID 63235139
2-cyclopropyl-2-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]amino]acetic acid
CID 114950871
2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62697174
1-(azepan-1-yl)-2-[[(1S)-1-cyclopropylethyl]-methylamino]ethanone
CID 95588686
1-(azepan-1-yl)-2-[[(1R)-1-cyclopropylethyl]-methylamino]ethanone
CID 95588688
2-cyclohexyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]acetic acid
CID 61195307

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid (CID 62711742) is 2-cyclopropyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid is CN(CC(=O)N1CCCC1)C(=O)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid?
The InChIKey is CKWTZHZZDOYVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-15(8-10(17)16-6-2-3-7-16)13(20)14-11(12(18)19)9-4-5-9/h9,11H,2-8H2,1H3,(H,14,20)(H,18,19).
What are the key properties of 2-cyclopropyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid?
2-cyclopropyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid has a molecular weight of 283.33 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 62711742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).