4-hydroxy-5-methylidenepyrrolidine-2-carboxylic acid

C6H9NO3 — CID 175766465

IUPAC4-hydroxy-5-methylidenepyrrolidine-2-carboxylic acid
SMILESC=C1NC(C(=O)O)CC1O
InChIInChI=1S/C6H9NO3/c1-3-5(8)2-4(7-3)6(9)10/h4-5,7-8H,1-2H2,(H,9,10)
InChIKeyXNUVCXSDBBQEIP-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.69
Rot. Bonds1

About 4-hydroxy-5-methylidenepyrrolidine-2-carboxylic acid

4-hydroxy-5-methylidenepyrrolidine-2-carboxylic acid (PubChem CID 175766465) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 4-hydroxy-5-methylidenepyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-5-methylidenepyrrolidine-2-carboxylic acid
PubChem CID175766465
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name4-hydroxy-5-methylidenepyrrolidine-2-carboxylic acid
SMILESC=C1NC(C(=O)O)CC1O
InChIInChI=1S/C6H9NO3/c1-3-5(8)2-4(7-3)6(9)10/h4-5,7-8H,1-2H2,(H,9,10)
InChIKeyXNUVCXSDBBQEIP-UHFFFAOYSA-N
XLogP-0.69
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(6R)-2-oxo-1,3-diazinane-4,6-dicarboxylic acid
CID 70376519
(2S,5R)-5-hydroxy-6-oxopiperidine-2-carboxylic acid
CID 68848721
(2S,4R)-azetidine-2,4-dicarboxylic acid
CID 2733517
4-cyclopropyl-5-oxopyrrolidine-2-carboxylic acid
CID 115013532
(3S,5S)-pyrazolidine-3,5-dicarboxylic acid
CID 131008103
(3S,6S)-diazinane-3,6-dicarboxylic acid
CID 131115204
4-amino-6-oxopiperidine-2-carboxylic acid
CID 71777683
methane;(2S)-4-oxoazetidine-2-carboxylic acid
CID 143306499
4-oxoazetidine-2-carboxylic acid;hydrochloride
CID 162462480
(2S,4S)-4-ethyl-5-oxopyrrolidine-2-carboxylic acid
CID 70097060
1-oxo-3,4,4a,5,6,7,8,8a-octahydro-2H-isoquinoline-3-carboxylic acid
CID 54025439
(2S,7S,12S)-5,10,15,20-tetraoxo-1,6,11,16-tetrazacycloicosane-2,7,12,17-tetracarboxylic acid
CID 177496276

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methylidenepyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-5-methylidenepyrrolidine-2-carboxylic acid (CID 175766465) is 4-hydroxy-5-methylidenepyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-5-methylidenepyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-5-methylidenepyrrolidine-2-carboxylic acid is C=C1NC(C(=O)O)CC1O.
What is the InChIKey of 4-hydroxy-5-methylidenepyrrolidine-2-carboxylic acid?
The InChIKey is XNUVCXSDBBQEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-3-5(8)2-4(7-3)6(9)10/h4-5,7-8H,1-2H2,(H,9,10).
What are the key properties of 4-hydroxy-5-methylidenepyrrolidine-2-carboxylic acid?
4-hydroxy-5-methylidenepyrrolidine-2-carboxylic acid has a molecular weight of 143.14 g/mol, XLogP of -0.69, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methylidenepyrrolidine-2-carboxylic acid is sourced from PubChem (CID 175766465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).