(2R)-4-amino-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]-4-oxobutanoic acid

C12H20N4O5 — CID 107826694

IUPAC(2R)-4-amino-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]-4-oxobutanoic acid
SMILESCN(CC(=O)N1CCCC1)C(=O)N[C@H](CC(N)=O)C(=O)O
InChIInChI=1S/C12H20N4O5/c1-15(7-10(18)16-4-2-3-5-16)12(21)14-8(11(19)20)6-9(13)17/h8H,2-7H2,1H3,(H2,13,17)(H,14,21)(H,19,20)/t8-/m1/s1
InChIKeyNBORBMWLTKVOMY-MRVPVSSYSA-N
MW300.32 g/mol
LogP-1.42
Rot. Bonds6

About (2R)-4-amino-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]-4-oxobutanoic acid

(2R)-4-amino-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]-4-oxobutanoic acid (PubChem CID 107826694) has the molecular formula C12H20N4O5 and a molecular weight of 300.32 g/mol. Its IUPAC name is (2R)-4-amino-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]-4-oxobutanoic acid
PubChem CID107826694
Molecular FormulaC12H20N4O5
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name(2R)-4-amino-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]-4-oxobutanoic acid
SMILESCN(CC(=O)N1CCCC1)C(=O)N[C@H](CC(N)=O)C(=O)O
InChIInChI=1S/C12H20N4O5/c1-15(7-10(18)16-4-2-3-5-16)12(21)14-8(11(19)20)6-9(13)17/h8H,2-7H2,1H3,(H2,13,17)(H,14,21)(H,19,20)/t8-/m1/s1
InChIKeyNBORBMWLTKVOMY-MRVPVSSYSA-N
XLogP-1.42
TPSA133.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-4-amino-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]-4-oxobutanoic acid with MolForge

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Related Compounds

(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
(2S)-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid
CID 78971244
4-amino-2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-4-oxobutanoic acid
CID 61193149
2-cyclopropyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid
CID 62711742
(2R)-4-amino-4-oxo-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]butanoic acid
CID 107828878
(2S)-4-amino-4-oxo-2-(piperidine-1-carbonylamino)butanoic acid
CID 63716218
(2R)-4-amino-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107827597
(2R)-4-amino-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-4-oxobutanoic acid
CID 114005644
(2R)-4-amino-2-[[methyl(2-methylpropyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107826094
2-methyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid
CID 79801349

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]-4-oxobutanoic acid?
The IUPAC name of (2R)-4-amino-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]-4-oxobutanoic acid (CID 107826694) is (2R)-4-amino-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for (2R)-4-amino-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]-4-oxobutanoic acid?
The canonical SMILES for (2R)-4-amino-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]-4-oxobutanoic acid is CN(CC(=O)N1CCCC1)C(=O)N[C@H](CC(N)=O)C(=O)O.
What is the InChIKey of (2R)-4-amino-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]-4-oxobutanoic acid?
The InChIKey is NBORBMWLTKVOMY-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H20N4O5/c1-15(7-10(18)16-4-2-3-5-16)12(21)14-8(11(19)20)6-9(13)17/h8H,2-7H2,1H3,(H2,13,17)(H,14,21)(H,19,20)/t8-/m1/s1.
What are the key properties of (2R)-4-amino-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]-4-oxobutanoic acid?
(2R)-4-amino-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]-4-oxobutanoic acid has a molecular weight of 300.32 g/mol, XLogP of -1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 107826694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).