3-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid

C11H20N2O4 — CID 103357102

IUPAC3-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid
SMILESCC(NC(=O)N1CCC(C)(O)C1)C(C)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-7(9(14)15)8(2)12-10(16)13-5-4-11(3,17)6-13/h7-8,17H,4-6H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyPZTIVXRFTQZCAF-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.26
Rot. Bonds3

About 3-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid

3-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid (PubChem CID 103357102) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name3-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid
PubChem CID103357102
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name3-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid
SMILESCC(NC(=O)N1CCC(C)(O)C1)C(C)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-7(9(14)15)8(2)12-10(16)13-5-4-11(3,17)6-13/h7-8,17H,4-6H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyPZTIVXRFTQZCAF-UHFFFAOYSA-N
XLogP0.26
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 104876769
3-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 106670735
(3S)-3-[[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]methyl]-5-methylhexanoic acid
CID 103357069
bis(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 150880281
(2S)-4-hydroxy-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 107829254
5-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 103357258
(2R)-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 81115379
3-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-methylamino]propanoic acid
CID 103357125
3-hydroxy-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 81115681
2-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
CID 103355859
2-chloro-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
CID 103881681
(2R)-4-amino-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 114005879

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid?
The IUPAC name of 3-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid (CID 103357102) is 3-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 3-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 3-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid is CC(NC(=O)N1CCC(C)(O)C1)C(C)C(=O)O.
What is the InChIKey of 3-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid?
The InChIKey is PZTIVXRFTQZCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-7(9(14)15)8(2)12-10(16)13-5-4-11(3,17)6-13/h7-8,17H,4-6H2,1-3H3,(H,12,16)(H,14,15).
What are the key properties of 3-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid?
3-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 103357102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).