(2R)-4-hydroxy-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid

C12H21N3O5 — CID 107826693

IUPAC(2R)-4-hydroxy-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid
SMILESCN(CC(=O)N1CCCC1)C(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C12H21N3O5/c1-14(8-10(17)15-5-2-3-6-15)12(20)13-9(4-7-16)11(18)19/h9,16H,2-8H2,1H3,(H,13,20)(H,18,19)/t9-/m1/s1
InChIKeyPRNCXOTZGWUVHZ-SECBINFHSA-N
MW287.32 g/mol
LogP-0.91
Rot. Bonds6

About (2R)-4-hydroxy-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid

(2R)-4-hydroxy-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid (PubChem CID 107826693) has the molecular formula C12H21N3O5 and a molecular weight of 287.32 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid
PubChem CID107826693
Molecular FormulaC12H21N3O5
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name(2R)-4-hydroxy-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid
SMILESCN(CC(=O)N1CCCC1)C(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C12H21N3O5/c1-14(8-10(17)15-5-2-3-6-15)12(20)13-9(4-7-16)11(18)19/h9,16H,2-8H2,1H3,(H,13,20)(H,18,19)/t9-/m1/s1
InChIKeyPRNCXOTZGWUVHZ-SECBINFHSA-N
XLogP-0.91
TPSA110.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

{(2R)-2-[(1S,2R)-1-Amino-2-hydroxypropyl]-2-hydroxy-4,5-dioxoimidazolidin-1-YL}acetic acid
CID 49866760
2-(13-Oxo-1,4,7,10-tetrazabicyclo[8.2.1]tridecan-4-yl)butanoic acid
CID 9882273
2-[[(2S)-2-aminopropanoyl]-[(3R)-5-hydroxy-2-oxopyrrolidin-3-yl]amino]acetic acid
CID 18605651
3-[4-(Hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoic acid
CID 19770786
(2S)-2-(pyrrolidine-1-carbonylamino)butanedioic acid
CID 54081531
2-[4-(2-Hydroxyethyl)-2-oxoimidazolidin-1-yl]acetic acid
CID 54469768
Methyl 4-hydroxy-3-[(1-methylpyrrolidine-2-carbonyl)amino]butanoate
CID 59136352
2-(2-Oxoimidazolidin-1-yl)butanedioic acid
CID 67787496
3-[(4S)-4-(hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoic acid
CID 67896828
3-Butanoyl-2-oxoimidazolidine-4-carboxylic acid
CID 68992404
(4S)-1-butanoyl-2-oxoimidazolidine-4-carboxylic acid
CID 68992878
(4S)-3-butanoyl-2-oxoimidazolidine-4-carboxylic acid
CID 68992880

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid (CID 107826693) is (2R)-4-hydroxy-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid is CN(CC(=O)N1CCCC1)C(=O)N[C@H](CCO)C(=O)O.
What is the InChIKey of (2R)-4-hydroxy-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid?
The InChIKey is PRNCXOTZGWUVHZ-SECBINFHSA-N. The full InChI is InChI=1S/C12H21N3O5/c1-14(8-10(17)15-5-2-3-6-15)12(20)13-9(4-7-16)11(18)19/h9,16H,2-8H2,1H3,(H,13,20)(H,18,19)/t9-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid?
(2R)-4-hydroxy-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid has a molecular weight of 287.32 g/mol, XLogP of -0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 107826693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).