(2R,4S)-1-carbamoyl-4-hydroxypyrrolidine-2-carboxylic acid

C6H10N2O4 — CID 2374396

IUPAC(2R,4S)-1-carbamoyl-4-hydroxypyrrolidine-2-carboxylic acid
SMILESNC(=O)N1C[C@@H](O)C[C@@H]1C(=O)O
InChIInChI=1S/C6H10N2O4/c7-6(12)8-2-3(9)1-4(8)5(10)11/h3-4,9H,1-2H2,(H2,7,12)(H,10,11)/t3-,4+/m0/s1
InChIKeyZADTVTGLZYNLTP-IUYQGCFVSA-N
MW174.16 g/mol
LogP-1.42
Rot. Bonds1

About (2R,4S)-1-carbamoyl-4-hydroxypyrrolidine-2-carboxylic acid

(2R,4S)-1-carbamoyl-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 2374396) has the molecular formula C6H10N2O4 and a molecular weight of 174.16 g/mol. Its IUPAC name is (2R,4S)-1-carbamoyl-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-1-carbamoyl-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID2374396
Molecular FormulaC6H10N2O4
Molecular Weight174.16 g/mol
Exact Mass174.06
IUPAC Name(2R,4S)-1-carbamoyl-4-hydroxypyrrolidine-2-carboxylic acid
SMILESNC(=O)N1C[C@@H](O)C[C@@H]1C(=O)O
InChIInChI=1S/C6H10N2O4/c7-6(12)8-2-3(9)1-4(8)5(10)11/h3-4,9H,1-2H2,(H2,7,12)(H,10,11)/t3-,4+/m0/s1
InChIKeyZADTVTGLZYNLTP-IUYQGCFVSA-N
XLogP-1.42
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713362
(2S,4S)-1-(2-chloroacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 46841621
(2R,4R)-4-hydroxy-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid
CID 79000770
(2S,4R)-1-(dimethylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841662
(2S)-1-[2-(carbamoylamino)ethylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 83112729
(2S)-4-hydroxy-1-[3-sulfanyl-2-(sulfanylmethyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 54446470
(2R,4R)-1-(4-carbamoylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000013
(2R,4R)-1-(3-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000057
(2R,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30079769
1-(cyclobutanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 16775594
(2S,4S)-1-(cyclobutanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30046185
(2S,4S)-1-[1-(aminomethyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 115453405

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-1-carbamoyl-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4S)-1-carbamoyl-4-hydroxypyrrolidine-2-carboxylic acid (CID 2374396) is (2R,4S)-1-carbamoyl-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4S)-1-carbamoyl-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4S)-1-carbamoyl-4-hydroxypyrrolidine-2-carboxylic acid is NC(=O)N1C[C@@H](O)C[C@@H]1C(=O)O.
What is the InChIKey of (2R,4S)-1-carbamoyl-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is ZADTVTGLZYNLTP-IUYQGCFVSA-N. The full InChI is InChI=1S/C6H10N2O4/c7-6(12)8-2-3(9)1-4(8)5(10)11/h3-4,9H,1-2H2,(H2,7,12)(H,10,11)/t3-,4+/m0/s1.
What are the key properties of (2R,4S)-1-carbamoyl-4-hydroxypyrrolidine-2-carboxylic acid?
(2R,4S)-1-carbamoyl-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 174.16 g/mol, XLogP of -1.42, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-1-carbamoyl-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 2374396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).