4-methyl-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid

C11H19N3O4 — CID 114156262

IUPAC4-methyl-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid
SMILESCC(C)C(CC(=O)O)NC(=O)NC1CNC(=O)C1
InChIInChI=1S/C11H19N3O4/c1-6(2)8(4-10(16)17)14-11(18)13-7-3-9(15)12-5-7/h6-8H,3-5H2,1-2H3,(H,12,15)(H,16,17)(H2,13,14,18)
InChIKeySJNOYHYNVDJYQF-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.33
Rot. Bonds5

About 4-methyl-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid

4-methyl-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid (PubChem CID 114156262) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-methyl-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid
PubChem CID114156262
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name4-methyl-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid
SMILESCC(C)C(CC(=O)O)NC(=O)NC1CNC(=O)C1
InChIInChI=1S/C11H19N3O4/c1-6(2)8(4-10(16)17)14-11(18)13-7-3-9(15)12-5-7/h6-8H,3-5H2,1-2H3,(H,12,15)(H,16,17)(H2,13,14,18)
InChIKeySJNOYHYNVDJYQF-UHFFFAOYSA-N
XLogP-0.33
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-dimethyl-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid
CID 106192144
3-[(5-oxopyrrolidin-3-yl)carbamoylamino]-3-phenylpropanoic acid
CID 106191844
(2R)-3-hydroxy-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid
CID 106192063
(2R)-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid
CID 106192089
(2S)-3-cyclopropyl-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid
CID 112734945
4-methylsulfanyl-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]butanoic acid
CID 114156284
2-[butan-2-yl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]acetic acid
CID 106191651
5-methoxy-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid
CID 114156282
1-amino-3-(5-oxopyrrolidin-3-yl)urea
CID 106197369
(2S)-2-acetamido-N-[(3S)-5-oxopyrrolidin-3-yl]propanamide;propane
CID 144964552
2-hydroxy-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid
CID 106192133
N-(5-oxopyrrolidin-3-yl)-2-(propan-2-ylamino)acetamide
CID 106187640

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid?
The IUPAC name of 4-methyl-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid (CID 114156262) is 4-methyl-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid?
The canonical SMILES for 4-methyl-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid is CC(C)C(CC(=O)O)NC(=O)NC1CNC(=O)C1.
What is the InChIKey of 4-methyl-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid?
The InChIKey is SJNOYHYNVDJYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-6(2)8(4-10(16)17)14-11(18)13-7-3-9(15)12-5-7/h6-8H,3-5H2,1-2H3,(H,12,15)(H,16,17)(H2,13,14,18).
What are the key properties of 4-methyl-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid?
4-methyl-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid has a molecular weight of 257.29 g/mol, XLogP of -0.33, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 114156262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).