(2S)-2-[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]propanoic acid

C9H15N3O4 — CID 78993838

IUPAC(2S)-2-[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]propanoic acid
SMILESC[C@H](NC(=O)NCC1CCC(=O)N1)C(=O)O
InChIInChI=1S/C9H15N3O4/c1-5(8(14)15)11-9(16)10-4-6-2-3-7(13)12-6/h5-6H,2-4H2,1H3,(H,12,13)(H,14,15)(H2,10,11,16)/t5-,6?/m0/s1
InChIKeyFROPDLQGCLDYGM-ZBHICJROSA-N
MW229.24 g/mol
LogP-0.96
Rot. Bonds4

About (2S)-2-[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]propanoic acid

(2S)-2-[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]propanoic acid (PubChem CID 78993838) has the molecular formula C9H15N3O4 and a molecular weight of 229.24 g/mol. Its IUPAC name is (2S)-2-[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]propanoic acid
PubChem CID78993838
Molecular FormulaC9H15N3O4
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name(2S)-2-[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]propanoic acid
SMILESC[C@H](NC(=O)NCC1CCC(=O)N1)C(=O)O
InChIInChI=1S/C9H15N3O4/c1-5(8(14)15)11-9(16)10-4-6-2-3-7(13)12-6/h5-6H,2-4H2,1H3,(H,12,13)(H,14,15)(H2,10,11,16)/t5-,6?/m0/s1
InChIKeyFROPDLQGCLDYGM-ZBHICJROSA-N
XLogP-0.96
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 5-0.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]propanoic acid?
The IUPAC name of (2S)-2-[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]propanoic acid (CID 78993838) is (2S)-2-[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]propanoic acid.
What is the SMILES notation for (2S)-2-[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]propanoic acid?
The canonical SMILES for (2S)-2-[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]propanoic acid is C[C@H](NC(=O)NCC1CCC(=O)N1)C(=O)O.
What is the InChIKey of (2S)-2-[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]propanoic acid?
The InChIKey is FROPDLQGCLDYGM-ZBHICJROSA-N. The full InChI is InChI=1S/C9H15N3O4/c1-5(8(14)15)11-9(16)10-4-6-2-3-7(13)12-6/h5-6H,2-4H2,1H3,(H,12,13)(H,14,15)(H2,10,11,16)/t5-,6?/m0/s1.
What are the key properties of (2S)-2-[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]propanoic acid?
(2S)-2-[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]propanoic acid has a molecular weight of 229.24 g/mol, XLogP of -0.96, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]propanoic acid is sourced from PubChem (CID 78993838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).