2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]benzoic acid

C12H14N2O5 — CID 106670631

IUPAC2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccccc1NC(=O)N1CC(O)C(O)C1
InChIInChI=1S/C12H14N2O5/c15-9-5-14(6-10(9)16)12(19)13-8-4-2-1-3-7(8)11(17)18/h1-4,9-10,15-16H,5-6H2,(H,13,19)(H,17,18)
InChIKeySLMRXARAMLJINC-UHFFFAOYSA-N
MW266.25 g/mol
LogP-0.05
Rot. Bonds2

About 2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]benzoic acid

2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]benzoic acid (PubChem CID 106670631) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is 2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]benzoic acid
PubChem CID106670631
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccccc1NC(=O)N1CC(O)C(O)C1
InChIInChI=1S/C12H14N2O5/c15-9-5-14(6-10(9)16)12(19)13-8-4-2-1-3-7(8)11(17)18/h1-4,9-10,15-16H,5-6H2,(H,13,19)(H,17,18)
InChIKeySLMRXARAMLJINC-UHFFFAOYSA-N
XLogP-0.05
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 5-0.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-dihydroisoindole-2-carbonylamino)benzoic acid
CID 62230167
2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-5-fluorobenzoic acid
CID 106670745
(3R,4S)-N-(2-fluorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide
CID 79410579
2-[(2-ethylmorpholine-4-carbonyl)amino]benzoic acid
CID 61203216
2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 64597013
(3S,4R)-3,4-dihydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 79411310
2-[(4-methyl-1,4-diazepane-1-carbonyl)amino]benzoic acid
CID 61193391
2-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]benzoic acid
CID 107214692
2-[(2,2-dimethylmorpholine-4-carbonyl)amino]benzoic acid
CID 61202030
2-[[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]amino]benzoic acid
CID 25138295
2-[(4-naphthalen-1-ylpiperazine-1-carbonyl)amino]benzoic acid
CID 69295483
N-(2-acetylphenyl)pyrrolidine-1-carboxamide
CID 112724111

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]benzoic acid?
The IUPAC name of 2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]benzoic acid (CID 106670631) is 2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]benzoic acid is O=C(O)c1ccccc1NC(=O)N1CC(O)C(O)C1.
What is the InChIKey of 2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]benzoic acid?
The InChIKey is SLMRXARAMLJINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c15-9-5-14(6-10(9)16)12(19)13-8-4-2-1-3-7(8)11(17)18/h1-4,9-10,15-16H,5-6H2,(H,13,19)(H,17,18).
What are the key properties of 2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]benzoic acid?
2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]benzoic acid has a molecular weight of 266.25 g/mol, XLogP of -0.05, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]benzoic acid is sourced from PubChem (CID 106670631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).