1-[(4-hydroxy-2-oxopyrrolidine-3-carbonyl)amino]cyclopropane-1-carboxylic acid

C9H12N2O5 — CID 142438412

IUPAC1-[(4-hydroxy-2-oxopyrrolidine-3-carbonyl)amino]cyclopropane-1-carboxylic acid
SMILESO=C1NCC(O)C1C(=O)NC1(C(=O)O)CC1
InChIInChI=1S/C9H12N2O5/c12-4-3-10-6(13)5(4)7(14)11-9(1-2-9)8(15)16/h4-5,12H,1-3H2,(H,10,13)(H,11,14)(H,15,16)
InChIKeyMVWZJSXBQLGSSS-UHFFFAOYSA-N
MW228.20 g/mol
LogP-2.17
Rot. Bonds3

About 1-[(4-hydroxy-2-oxopyrrolidine-3-carbonyl)amino]cyclopropane-1-carboxylic acid

1-[(4-hydroxy-2-oxopyrrolidine-3-carbonyl)amino]cyclopropane-1-carboxylic acid (PubChem CID 142438412) has the molecular formula C9H12N2O5 and a molecular weight of 228.20 g/mol. Its IUPAC name is 1-[(4-hydroxy-2-oxopyrrolidine-3-carbonyl)amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-hydroxy-2-oxopyrrolidine-3-carbonyl)amino]cyclopropane-1-carboxylic acid
PubChem CID142438412
Molecular FormulaC9H12N2O5
Molecular Weight228.20 g/mol
Exact Mass228.07
IUPAC Name1-[(4-hydroxy-2-oxopyrrolidine-3-carbonyl)amino]cyclopropane-1-carboxylic acid
SMILESO=C1NCC(O)C1C(=O)NC1(C(=O)O)CC1
InChIInChI=1S/C9H12N2O5/c12-4-3-10-6(13)5(4)7(14)11-9(1-2-9)8(15)16/h4-5,12H,1-3H2,(H,10,13)(H,11,14)(H,15,16)
InChIKeyMVWZJSXBQLGSSS-UHFFFAOYSA-N
XLogP-2.17
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 5-2.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(1-formylcyclobutyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 142438422
N'-cyclopentyl-4-hydroxy-2-oxopyrrolidine-3-carbohydrazide
CID 142448510
N-cycloheptyl-4-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 142438443
N-(benzenesulfonyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 137474003
N-cycloheptyloxy-4-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 142448490
1-[(5-oxopyrrolidine-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 83191991
methyl 1-[(4-hydroxy-2-oxopiperidine-3-carbonyl)amino]cyclopentane-1-carboxylate
CID 142439218
1-[(6-oxopiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 115281131
N'-(2-fluorophenyl)-4-hydroxy-2-oxopyrrolidine-3-carbohydrazide
CID 142448524
ethane;4-hydroxy-N-(1-methylcyclobutyl)-2-oxopiperidine-3-carboxamide
CID 142439240
(3R,4S)-2-oxo-4-phenylpyrrolidine-3-carbohydrazide
CID 822739
1-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonylamino)cyclopropane-1-carboxylic acid
CID 66396875

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxy-2-oxopyrrolidine-3-carbonyl)amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(4-hydroxy-2-oxopyrrolidine-3-carbonyl)amino]cyclopropane-1-carboxylic acid (CID 142438412) is 1-[(4-hydroxy-2-oxopyrrolidine-3-carbonyl)amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-hydroxy-2-oxopyrrolidine-3-carbonyl)amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(4-hydroxy-2-oxopyrrolidine-3-carbonyl)amino]cyclopropane-1-carboxylic acid is O=C1NCC(O)C1C(=O)NC1(C(=O)O)CC1.
What is the InChIKey of 1-[(4-hydroxy-2-oxopyrrolidine-3-carbonyl)amino]cyclopropane-1-carboxylic acid?
The InChIKey is MVWZJSXBQLGSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O5/c12-4-3-10-6(13)5(4)7(14)11-9(1-2-9)8(15)16/h4-5,12H,1-3H2,(H,10,13)(H,11,14)(H,15,16).
What are the key properties of 1-[(4-hydroxy-2-oxopyrrolidine-3-carbonyl)amino]cyclopropane-1-carboxylic acid?
1-[(4-hydroxy-2-oxopyrrolidine-3-carbonyl)amino]cyclopropane-1-carboxylic acid has a molecular weight of 228.20 g/mol, XLogP of -2.17, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxy-2-oxopyrrolidine-3-carbonyl)amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 142438412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).