3-methyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]butanoic acid

C11H20N2O3 — CID 79388459

IUPAC3-methyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]butanoic acid
SMILESCC(C)C(NC(=O)C1CCNC1C)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-6(2)9(11(15)16)13-10(14)8-4-5-12-7(8)3/h6-9,12H,4-5H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyMZGJYKRMGKTPPV-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.21
Rot. Bonds4

About 3-methyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]butanoic acid

3-methyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]butanoic acid (PubChem CID 79388459) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-methyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]butanoic acid
PubChem CID79388459
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-methyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]butanoic acid
SMILESCC(C)C(NC(=O)C1CCNC1C)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-6(2)9(11(15)16)13-10(14)8-4-5-12-7(8)3/h6-9,12H,4-5H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyMZGJYKRMGKTPPV-UHFFFAOYSA-N
XLogP0.21
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-methyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 79385021
2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 79388540
(2R)-3-hydroxy-2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 80750843
3-methyl-2-[(4-methylpiperidine-2-carbonyl)amino]butanoic acid
CID 115866989
cis-(1S,2R)-2-[(1-carboxy-2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114092157
(2S)-4-methoxy-2-[(2-methylpyrrolidine-3-carbonyl)amino]-4-oxobutanoic acid
CID 79384306
(2S,3S)-2-methyl-N-propan-2-ylpiperidine-3-carboxamide
CID 97050937
N,2-dimethylpyrrolidine-3-carboxamide
CID 79382983
(2R,3R)-2-methylpyrrolidine-3-carboxylic acid
CID 10887930
(2R)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]-3-methylbutanoic acid
CID 119369099
N-(1-ethoxypropan-2-yl)-2-methylpyrrolidine-3-carboxamide
CID 79388083
2-methylpyrrolidine-3-carbohydrazide
CID 79384311

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 3-methyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]butanoic acid (CID 79388459) is 3-methyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-methyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-methyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]butanoic acid is CC(C)C(NC(=O)C1CCNC1C)C(=O)O.
What is the InChIKey of 3-methyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]butanoic acid?
The InChIKey is MZGJYKRMGKTPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-6(2)9(11(15)16)13-10(14)8-4-5-12-7(8)3/h6-9,12H,4-5H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 3-methyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]butanoic acid?
3-methyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]butanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 79388459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).