2-[butan-2-yl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]acetic acid

C11H19N3O4 — CID 106191651

IUPAC2-[butan-2-yl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)NC1CNC(=O)C1
InChIInChI=1S/C11H19N3O4/c1-3-7(2)14(6-10(16)17)11(18)13-8-4-9(15)12-5-8/h7-8H,3-6H2,1-2H3,(H,12,15)(H,13,18)(H,16,17)
InChIKeyVDYUJWPVZQHQPU-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.23
Rot. Bonds5

About 2-[butan-2-yl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]acetic acid

2-[butan-2-yl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]acetic acid (PubChem CID 106191651) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[butan-2-yl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]acetic acid
PubChem CID106191651
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name2-[butan-2-yl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)NC1CNC(=O)C1
InChIInChI=1S/C11H19N3O4/c1-3-7(2)14(6-10(16)17)11(18)13-8-4-9(15)12-5-8/h7-8H,3-6H2,1-2H3,(H,12,15)(H,13,18)(H,16,17)
InChIKeyVDYUJWPVZQHQPU-UHFFFAOYSA-N
XLogP-0.23
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[butan-2-yl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]acetic 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

3-(2-Amino-propionyl)-1-methyl-2-oxo-imidazolidine-4-carboxylic acid
CID 44331737
3,5-Dihydro-5-Methylidene-4h-Imidazol-4-On
CID 49866408
(S)-(4-N-Boc-Amino-2-oxo-pyrrolidin-1-yl)-acetic acid
CID 14731950
2-[(5-Oxopyrrolidin-3-yl)amino]acetic acid
CID 54371871
[(2S,4S)-2-[(1S)-1-aminoethyl]-4-(aminomethyl)-5-oxoimidazolidin-1-yl]acetic acid
CID 137347938
5-Isopropyl-hydantoin-3-essig
CID 84034889
2-[(1-Methyl-2,5-dioxopyrrolidin-3-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264842
2-[(1-Methylpyrrolidin-3-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266276
3,3,3-Trifluoro-2-methyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoylamino]propanoic acid
CID 79789342
2-[(1-Methyl-2-oxopyrrolidin-3-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 104001933
2-[(3-Acetamidopyrrolidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 104352225
2-[(3-Acetamidopyrrolidine-1-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 104352293

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]acetic acid (CID 106191651) is 2-[butan-2-yl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)NC1CNC(=O)C1.
What is the InChIKey of 2-[butan-2-yl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]acetic acid?
The InChIKey is VDYUJWPVZQHQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-3-7(2)14(6-10(16)17)11(18)13-8-4-9(15)12-5-8/h7-8H,3-6H2,1-2H3,(H,12,15)(H,13,18)(H,16,17).
What are the key properties of 2-[butan-2-yl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]acetic acid?
2-[butan-2-yl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]acetic acid has a molecular weight of 257.29 g/mol, XLogP of -0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 106191651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).