4-amino-1-[(Z)-3-carboxyprop-2-enoyl]pyrrolidine-2-carboxylic acid

C9H12N2O5 — CID 143148077

IUPAC4-amino-1-[(Z)-3-carboxyprop-2-enoyl]pyrrolidine-2-carboxylic acid
SMILESNC1CC(C(=O)O)N(C(=O)/C=C\C(=O)O)C1
InChIInChI=1S/C9H12N2O5/c10-5-3-6(9(15)16)11(4-5)7(12)1-2-8(13)14/h1-2,5-6H,3-4,10H2,(H,13,14)(H,15,16)/b2-1-
InChIKeyASZKEUDKHCSHLR-UPHRSURJSA-N
MW228.20 g/mol
LogP-1.36
Rot. Bonds3

About 4-amino-1-[(Z)-3-carboxyprop-2-enoyl]pyrrolidine-2-carboxylic acid

4-amino-1-[(Z)-3-carboxyprop-2-enoyl]pyrrolidine-2-carboxylic acid (PubChem CID 143148077) has the molecular formula C9H12N2O5 and a molecular weight of 228.20 g/mol. Its IUPAC name is 4-amino-1-[(Z)-3-carboxyprop-2-enoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-[(Z)-3-carboxyprop-2-enoyl]pyrrolidine-2-carboxylic acid
PubChem CID143148077
Molecular FormulaC9H12N2O5
Molecular Weight228.20 g/mol
Exact Mass228.07
IUPAC Name4-amino-1-[(Z)-3-carboxyprop-2-enoyl]pyrrolidine-2-carboxylic acid
SMILESNC1CC(C(=O)O)N(C(=O)/C=C\C(=O)O)C1
InChIInChI=1S/C9H12N2O5/c10-5-3-6(9(15)16)11(4-5)7(12)1-2-8(13)14/h1-2,5-6H,3-4,10H2,(H,13,14)(H,15,16)/b2-1-
InChIKeyASZKEUDKHCSHLR-UPHRSURJSA-N
XLogP-1.36
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-amino-1-[(Z)-3-carboxyprop-2-enoyl]pyrrolidine-2-carboxylic 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 4-amino-1-[(Z)-3-carboxyprop-2-enoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-amino-1-[(Z)-3-carboxyprop-2-enoyl]pyrrolidine-2-carboxylic acid (CID 143148077) is 4-amino-1-[(Z)-3-carboxyprop-2-enoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-amino-1-[(Z)-3-carboxyprop-2-enoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-amino-1-[(Z)-3-carboxyprop-2-enoyl]pyrrolidine-2-carboxylic acid is NC1CC(C(=O)O)N(C(=O)/C=C\C(=O)O)C1.
What is the InChIKey of 4-amino-1-[(Z)-3-carboxyprop-2-enoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is ASZKEUDKHCSHLR-UPHRSURJSA-N. The full InChI is InChI=1S/C9H12N2O5/c10-5-3-6(9(15)16)11(4-5)7(12)1-2-8(13)14/h1-2,5-6H,3-4,10H2,(H,13,14)(H,15,16)/b2-1-.
What are the key properties of 4-amino-1-[(Z)-3-carboxyprop-2-enoyl]pyrrolidine-2-carboxylic acid?
4-amino-1-[(Z)-3-carboxyprop-2-enoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 228.20 g/mol, XLogP of -1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(Z)-3-carboxyprop-2-enoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 143148077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).