4-hydroxy-2-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid

C13H22N2O5 — CID 61244580

IUPAC4-hydroxy-2-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid
SMILESCC(C)CN1CC(C(=O)NC(CCO)C(=O)O)CC1=O
InChIInChI=1S/C13H22N2O5/c1-8(2)6-15-7-9(5-11(15)17)12(18)14-10(3-4-16)13(19)20/h8-10,16H,3-7H2,1-2H3,(H,14,18)(H,19,20)
InChIKeyDUVIJUUMFMNRAL-UHFFFAOYSA-N
MW286.33 g/mol
LogP-0.56
Rot. Bonds7

About 4-hydroxy-2-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid

4-hydroxy-2-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid (PubChem CID 61244580) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-hydroxy-2-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid
PubChem CID61244580
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name4-hydroxy-2-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid
SMILESCC(C)CN1CC(C(=O)NC(CCO)C(=O)O)CC1=O
InChIInChI=1S/C13H22N2O5/c1-8(2)6-15-7-9(5-11(15)17)12(18)14-10(3-4-16)13(19)20/h8-10,16H,3-7H2,1-2H3,(H,14,18)(H,19,20)
InChIKeyDUVIJUUMFMNRAL-UHFFFAOYSA-N
XLogP-0.56
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid
CID 43469719
N-(4-hydroxy-2-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 66109437
1-(2-methylpropyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 113182040
2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 43353286
5-amino-2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-5-oxopentanoic acid
CID 43358672
N-(3-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 47025507
(2S)-2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820442
(2S)-2-[[(3R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 125119938
(2S)-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 61155168
(2R)-3-hydroxy-2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 80749560
(2R)-2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid
CID 107562754
(2S)-3-hydroxy-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 61153649

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid?
The IUPAC name of 4-hydroxy-2-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid (CID 61244580) is 4-hydroxy-2-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid.
What is the SMILES notation for 4-hydroxy-2-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid?
The canonical SMILES for 4-hydroxy-2-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid is CC(C)CN1CC(C(=O)NC(CCO)C(=O)O)CC1=O.
What is the InChIKey of 4-hydroxy-2-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid?
The InChIKey is DUVIJUUMFMNRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-8(2)6-15-7-9(5-11(15)17)12(18)14-10(3-4-16)13(19)20/h8-10,16H,3-7H2,1-2H3,(H,14,18)(H,19,20).
What are the key properties of 4-hydroxy-2-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid?
4-hydroxy-2-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid has a molecular weight of 286.33 g/mol, XLogP of -0.56, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid is sourced from PubChem (CID 61244580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).