2-[phenyl-(phenylmethoxyamino)methylidene]pyrrolidine-1-carboxylic acid

C19H20N2O3 — CID 90988337

IUPAC2-[phenyl-(phenylmethoxyamino)methylidene]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1=C(NOCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H20N2O3/c22-19(23)21-13-7-12-17(21)18(16-10-5-2-6-11-16)20-24-14-15-8-3-1-4-9-15/h1-6,8-11,20H,7,12-14H2,(H,22,23)
InChIKeyJTMDTSOYICQXHW-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.85
Rot. Bonds5

About 2-[phenyl-(phenylmethoxyamino)methylidene]pyrrolidine-1-carboxylic acid

2-[phenyl-(phenylmethoxyamino)methylidene]pyrrolidine-1-carboxylic acid (PubChem CID 90988337) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[phenyl-(phenylmethoxyamino)methylidene]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[phenyl-(phenylmethoxyamino)methylidene]pyrrolidine-1-carboxylic acid
PubChem CID90988337
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-[phenyl-(phenylmethoxyamino)methylidene]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1=C(NOCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H20N2O3/c22-19(23)21-13-7-12-17(21)18(16-10-5-2-6-11-16)20-24-14-15-8-3-1-4-9-15/h1-6,8-11,20H,7,12-14H2,(H,22,23)
InChIKeyJTMDTSOYICQXHW-UHFFFAOYSA-N
XLogP3.85
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[phenyl-(phenylmethoxyamino)methylidene]pyrrolidine-1-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

1-Benzyl-1-ethyl-3-phenylmethoxyurea
CID 45874038
(1S)-1-phenyl-N-phenylmethoxy-2-pyrrolidin-1-ylethanamine
CID 18392027
1-phenyl-N-phenylmethoxy-2-pyrrolidin-1-ylethanamine
CID 18687605
3-tert-butyl-5-(phenylmethoxyamino)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid
CID 57075119
3-[[Benzyl(phenylmethoxycarbonyl)amino]methyl]pyrrolidine-1-carboxylic acid
CID 70983482
(3S)-3-[[benzyl(phenylmethoxycarbonyl)amino]methyl]pyrrolidine-1-carboxylic acid
CID 70983894
Benzyl(benzyloxy)carbamic acid
CID 71391873
2-Benzyl-3-phenylmethoxyiminopyrrolidine-1-carboxylic acid
CID 87791619
Tert-butyl 2-[phenyl-(phenylmethoxyamino)methylidene]pyrrolidine-1-carboxylate
CID 90689560
Benzyl 3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-3-ene-9-carboxylate
CID 90702828
1-(1-methylpyrrolidin-2-ylidene)-1-phenyl-N-phenylmethoxymethanamine
CID 91145454
Ethyl 2-[[2-(phenylmethoxyamino)phenyl]methyl]pyrrolidine-1-carboxylate
CID 91224480

Frequently Asked Questions

What is the IUPAC name of 2-[phenyl-(phenylmethoxyamino)methylidene]pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-[phenyl-(phenylmethoxyamino)methylidene]pyrrolidine-1-carboxylic acid (CID 90988337) is 2-[phenyl-(phenylmethoxyamino)methylidene]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-[phenyl-(phenylmethoxyamino)methylidene]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-[phenyl-(phenylmethoxyamino)methylidene]pyrrolidine-1-carboxylic acid is O=C(O)N1CCCC1=C(NOCc1ccccc1)c1ccccc1.
What is the InChIKey of 2-[phenyl-(phenylmethoxyamino)methylidene]pyrrolidine-1-carboxylic acid?
The InChIKey is JTMDTSOYICQXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-19(23)21-13-7-12-17(21)18(16-10-5-2-6-11-16)20-24-14-15-8-3-1-4-9-15/h1-6,8-11,20H,7,12-14H2,(H,22,23).
What are the key properties of 2-[phenyl-(phenylmethoxyamino)methylidene]pyrrolidine-1-carboxylic acid?
2-[phenyl-(phenylmethoxyamino)methylidene]pyrrolidine-1-carboxylic acid has a molecular weight of 324.38 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[phenyl-(phenylmethoxyamino)methylidene]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 90988337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).