(2R,4S)-4-azido-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid

C9H12N4O4 — CID 165495284

IUPAC(2R,4S)-4-azido-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid
SMILESC=CCOC(=O)N1C[C@@H](N=[N+]=[N-])C[C@@H]1C(=O)O
InChIInChI=1S/C9H12N4O4/c1-2-3-17-9(16)13-5-6(11-12-10)4-7(13)8(14)15/h2,6-7H,1,3-5H2,(H,14,15)/t6-,7+/m0/s1
InChIKeyYTPSHGHIKMDZFP-NKWVEPMBSA-N
MW240.22 g/mol
LogP1.15
Rot. Bonds4

About (2R,4S)-4-azido-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid

(2R,4S)-4-azido-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid (PubChem CID 165495284) has the molecular formula C9H12N4O4 and a molecular weight of 240.22 g/mol. Its IUPAC name is (2R,4S)-4-azido-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-4-azido-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid
PubChem CID165495284
Molecular FormulaC9H12N4O4
Molecular Weight240.22 g/mol
Exact Mass240.09
IUPAC Name(2R,4S)-4-azido-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid
SMILESC=CCOC(=O)N1C[C@@H](N=[N+]=[N-])C[C@@H]1C(=O)O
InChIInChI=1S/C9H12N4O4/c1-2-3-17-9(16)13-5-6(11-12-10)4-7(13)8(14)15/h2,6-7H,1,3-5H2,(H,14,15)/t6-,7+/m0/s1
InChIKeyYTPSHGHIKMDZFP-NKWVEPMBSA-N
XLogP1.15
TPSA115.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (2R,4S)-4-azido-1-prop-2-enoxycarbonylpyrrolidine-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

Related Compounds

(2R,4R)-4-azidopyrrolidine-1,2-dicarboxylic acid
CID 90986921
(2R,4R)-4-azido-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 91202469
(2R,4S)-4-azido-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 14842622
(2R,4S)-4-azido-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid
CID 98008180
1-O-benzyl 2-O-methyl (2R,4R)-4-azidopyrrolidine-1,2-dicarboxylate
CID 11162503
4-methyl-1-prop-2-enoxycarbonylpiperidine-2-carboxylic acid
CID 114421064
bis(prop-2-enyl) (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate
CID 139678210
4-oxo-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid
CID 18534717
1-O-tert-butyl 2-O-methyl (2S,4S)-4-azidopyrrolidine-1,2-dicarboxylate
CID 11219435
1-O-tert-butyl 2-O-methyl 4-azidopyrrolidine-1,2-dicarboxylate
CID 14772683
1-O-tert-butyl 2-O-methyl (2S)-4-azidopyrrolidine-1,2-dicarboxylate
CID 57298147
4-methylidene-1-prop-2-enoxycarbonylpiperidine-2-carboxylic acid
CID 167731596

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-azido-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4S)-4-azido-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid (CID 165495284) is (2R,4S)-4-azido-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4S)-4-azido-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4S)-4-azido-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid is C=CCOC(=O)N1C[C@@H](N=[N+]=[N-])C[C@@H]1C(=O)O.
What is the InChIKey of (2R,4S)-4-azido-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid?
The InChIKey is YTPSHGHIKMDZFP-NKWVEPMBSA-N. The full InChI is InChI=1S/C9H12N4O4/c1-2-3-17-9(16)13-5-6(11-12-10)4-7(13)8(14)15/h2,6-7H,1,3-5H2,(H,14,15)/t6-,7+/m0/s1.
What are the key properties of (2R,4S)-4-azido-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid?
(2R,4S)-4-azido-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid has a molecular weight of 240.22 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-azido-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 165495284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).