3-hydroxy-3-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]butanoic acid

C11H19N3O5 — CID 106257873

IUPAC3-hydroxy-3-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]butanoic acid
SMILESCN1CCC(NC(=O)NCC(C)(O)CC(=O)O)C1=O
InChIInChI=1S/C11H19N3O5/c1-11(19,5-8(15)16)6-12-10(18)13-7-3-4-14(2)9(7)17/h7,19H,3-6H2,1-2H3,(H,15,16)(H2,12,13,18)
InChIKeyZFDMJTVBZWNROJ-UHFFFAOYSA-N
MW273.29 g/mol
LogP-1.26
Rot. Bonds5

About 3-hydroxy-3-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]butanoic acid

3-hydroxy-3-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]butanoic acid (PubChem CID 106257873) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-hydroxy-3-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-3-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]butanoic acid
PubChem CID106257873
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Name3-hydroxy-3-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]butanoic acid
SMILESCN1CCC(NC(=O)NCC(C)(O)CC(=O)O)C1=O
InChIInChI=1S/C11H19N3O5/c1-11(19,5-8(15)16)6-12-10(18)13-7-3-4-14(2)9(7)17/h7,19H,3-6H2,1-2H3,(H,15,16)(H2,12,13,18)
InChIKeyZFDMJTVBZWNROJ-UHFFFAOYSA-N
XLogP-1.26
TPSA118.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-1.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid
CID 106258155
6-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid
CID 106258009
2-hydroxy-2-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)propanamide
CID 106509766
3-hydroxy-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-phenylbutanamide
CID 110025482
(3S)-5-methyl-3-[[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]methyl]hexanoic acid
CID 106258173
3-hydroxy-3-methyl-4-(piperidin-4-ylcarbamoylamino)butanoic acid
CID 66003003
4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 104968130
4-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]benzoic acid
CID 106258149
tert-butyl N-(1-methyl-2-oxopyrrolidin-3-yl)carbamate
CID 68911736
3-hydroxy-3-methyl-4-(methylcarbamoylamino)butanoic acid
CID 66003379
methyl 2-hydroxy-2-methyl-3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]propanoate
CID 106256600
1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[2-(3,4,5-trifluorophenyl)ethyl]urea
CID 146131747

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]butanoic acid?
The IUPAC name of 3-hydroxy-3-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]butanoic acid (CID 106257873) is 3-hydroxy-3-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]butanoic acid.
What is the SMILES notation for 3-hydroxy-3-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]butanoic acid?
The canonical SMILES for 3-hydroxy-3-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]butanoic acid is CN1CCC(NC(=O)NCC(C)(O)CC(=O)O)C1=O.
What is the InChIKey of 3-hydroxy-3-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]butanoic acid?
The InChIKey is ZFDMJTVBZWNROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O5/c1-11(19,5-8(15)16)6-12-10(18)13-7-3-4-14(2)9(7)17/h7,19H,3-6H2,1-2H3,(H,15,16)(H2,12,13,18).
What are the key properties of 3-hydroxy-3-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]butanoic acid?
3-hydroxy-3-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]butanoic acid has a molecular weight of 273.29 g/mol, XLogP of -1.26, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]butanoic acid is sourced from PubChem (CID 106257873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).