(2R)-2-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid

C10H17N3O5 — CID 118678864

IUPAC(2R)-2-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid
SMILESC[C@H](NC(=O)[C@H]1CCCN1C(=O)O)[C@@H](O)C(N)=O
InChIInChI=1S/C10H17N3O5/c1-5(7(14)8(11)15)12-9(16)6-3-2-4-13(6)10(17)18/h5-7,14H,2-4H2,1H3,(H2,11,15)(H,12,16)(H,17,18)/t5-,6+,7+/m0/s1
InChIKeyXNTKBLKSEBLGMC-RRKCRQDMSA-N
MW259.26 g/mol
LogP-1.52
Rot. Bonds4

About (2R)-2-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid

(2R)-2-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid (PubChem CID 118678864) has the molecular formula C10H17N3O5 and a molecular weight of 259.26 g/mol. Its IUPAC name is (2R)-2-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid
PubChem CID118678864
Molecular FormulaC10H17N3O5
Molecular Weight259.26 g/mol
Exact Mass259.12
IUPAC Name(2R)-2-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid
SMILESC[C@H](NC(=O)[C@H]1CCCN1C(=O)O)[C@@H](O)C(N)=O
InChIInChI=1S/C10H17N3O5/c1-5(7(14)8(11)15)12-9(16)6-3-2-4-13(6)10(17)18/h5-7,14H,2-4H2,1H3,(H2,11,15)(H,12,16)(H,17,18)/t5-,6+,7+/m0/s1
InChIKeyXNTKBLKSEBLGMC-RRKCRQDMSA-N
XLogP-1.52
TPSA132.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 5-1.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid with MolForge

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Related Compounds

(2S)-1-[(2S)-2-hydroxypropanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 14607704
(3S)-3-[(2S)-2-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid
CID 130238004
(2S)-1-[(2S,3R)-3-amino-2-hydroxy-5-methylhexanoyl]-N-[(2S)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
CID 11724034
(3R)-3-[(3S)-3-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid
CID 118678754
tert-butyl 2-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 175147411
(2S)-1-[1-[(2S)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]-N-(1-amino-3-hydroxy-1-oxobutan-2-yl)pyrrolidine-2-carboxamide
CID 134692366
1-[1-[(3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
CID 71036515
2-[[1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoic acid
CID 18232494
(2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-1-[(1S,2S)-2-sulfanylcyclopentanecarbonyl]pyrrolidine-2-carboxamide
CID 10663017
(2S)-1-[(2R)-2-[[(2S)-1-[(2R)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 71419442
tert-butyl 2-(3-methylbutan-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 73237927
(2S)-2-[[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 15515688

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of (2R)-2-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid (CID 118678864) is (2R)-2-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R)-2-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R)-2-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid is C[C@H](NC(=O)[C@H]1CCCN1C(=O)O)[C@@H](O)C(N)=O.
What is the InChIKey of (2R)-2-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid?
The InChIKey is XNTKBLKSEBLGMC-RRKCRQDMSA-N. The full InChI is InChI=1S/C10H17N3O5/c1-5(7(14)8(11)15)12-9(16)6-3-2-4-13(6)10(17)18/h5-7,14H,2-4H2,1H3,(H2,11,15)(H,12,16)(H,17,18)/t5-,6+,7+/m0/s1.
What are the key properties of (2R)-2-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid?
(2R)-2-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of -1.52, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 118678864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).