4-[2-[(2S)-1-methoxycarbonylpyrrolidine-2-carbonyl]hydrazinyl]benzoic acid

C14H17N3O5 — CID 134210075

IUPAC4-[2-[(2S)-1-methoxycarbonylpyrrolidine-2-carbonyl]hydrazinyl]benzoic acid
SMILESCOC(=O)N1CCC[C@H]1C(=O)NNc1ccc(C(=O)O)cc1
InChIInChI=1S/C14H17N3O5/c1-22-14(21)17-8-2-3-11(17)12(18)16-15-10-6-4-9(5-7-10)13(19)20/h4-7,11,15H,2-3,8H2,1H3,(H,16,18)(H,19,20)/t11-/m0/s1
InChIKeySBOIHLXMDBHJRY-NSHDSACASA-N
MW307.31 g/mol
LogP1.06
Rot. Bonds4

About 4-[2-[(2S)-1-methoxycarbonylpyrrolidine-2-carbonyl]hydrazinyl]benzoic acid

4-[2-[(2S)-1-methoxycarbonylpyrrolidine-2-carbonyl]hydrazinyl]benzoic acid (PubChem CID 134210075) has the molecular formula C14H17N3O5 and a molecular weight of 307.31 g/mol. Its IUPAC name is 4-[2-[(2S)-1-methoxycarbonylpyrrolidine-2-carbonyl]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[(2S)-1-methoxycarbonylpyrrolidine-2-carbonyl]hydrazinyl]benzoic acid
PubChem CID134210075
Molecular FormulaC14H17N3O5
Molecular Weight307.31 g/mol
Exact Mass307.12
IUPAC Name4-[2-[(2S)-1-methoxycarbonylpyrrolidine-2-carbonyl]hydrazinyl]benzoic acid
SMILESCOC(=O)N1CCC[C@H]1C(=O)NNc1ccc(C(=O)O)cc1
InChIInChI=1S/C14H17N3O5/c1-22-14(21)17-8-2-3-11(17)12(18)16-15-10-6-4-9(5-7-10)13(19)20/h4-7,11,15H,2-3,8H2,1H3,(H,16,18)(H,19,20)/t11-/m0/s1
InChIKeySBOIHLXMDBHJRY-NSHDSACASA-N
XLogP1.06
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[2-[(2S)-1-methoxycarbonylpyrrolidine-2-carbonyl]hydrazinyl]benzoic 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

methyl 2-[(4-acetylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 110754583
tert-butyl 2-[[4-(4-bromophenyl)anilino]carbamoyl]pyrrolidine-1-carboxylate
CID 151316038
2-[(4-methylanilino)carbamoyl]pyrrolidine-1-carboxamide
CID 134211831
ethyl 4-[2-[(2S)-1-(methylcarbamoyl)pyrrolidine-2-carbonyl]hydrazinyl]benzoate
CID 134210056
methyl 2-[(4-propan-2-ylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 110754545
methyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate
CID 115606581
methyl 2-[(2-ethoxycarbonylanilino)carbamoyl]pyrrolidine-1-carboxylate
CID 134209965
methyl (2S)-2-[(4-ethylsulfonylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 95322819
tert-butyl (2R)-2-[(4-carbamoylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 8023967
methyl 2-[(2-bromophenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 110754602
methyl 2-[[2-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 110754577
methyl 4-[[1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbonyl]amino]benzoate
CID 110343966

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2S)-1-methoxycarbonylpyrrolidine-2-carbonyl]hydrazinyl]benzoic acid?
The IUPAC name of 4-[2-[(2S)-1-methoxycarbonylpyrrolidine-2-carbonyl]hydrazinyl]benzoic acid (CID 134210075) is 4-[2-[(2S)-1-methoxycarbonylpyrrolidine-2-carbonyl]hydrazinyl]benzoic acid.
What is the SMILES notation for 4-[2-[(2S)-1-methoxycarbonylpyrrolidine-2-carbonyl]hydrazinyl]benzoic acid?
The canonical SMILES for 4-[2-[(2S)-1-methoxycarbonylpyrrolidine-2-carbonyl]hydrazinyl]benzoic acid is COC(=O)N1CCC[C@H]1C(=O)NNc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[2-[(2S)-1-methoxycarbonylpyrrolidine-2-carbonyl]hydrazinyl]benzoic acid?
The InChIKey is SBOIHLXMDBHJRY-NSHDSACASA-N. The full InChI is InChI=1S/C14H17N3O5/c1-22-14(21)17-8-2-3-11(17)12(18)16-15-10-6-4-9(5-7-10)13(19)20/h4-7,11,15H,2-3,8H2,1H3,(H,16,18)(H,19,20)/t11-/m0/s1.
What are the key properties of 4-[2-[(2S)-1-methoxycarbonylpyrrolidine-2-carbonyl]hydrazinyl]benzoic acid?
4-[2-[(2S)-1-methoxycarbonylpyrrolidine-2-carbonyl]hydrazinyl]benzoic acid has a molecular weight of 307.31 g/mol, XLogP of 1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2S)-1-methoxycarbonylpyrrolidine-2-carbonyl]hydrazinyl]benzoic acid is sourced from PubChem (CID 134210075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).