2-methyl-2-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]butanoic acid

C11H20N2O3 — CID 104901372

IUPAC2-methyl-2-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]butanoic acid
SMILESCCC(C)(CNC(=O)[C@H]1CCCN1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-3-11(2,10(15)16)7-13-9(14)8-5-4-6-12-8/h8,12H,3-7H2,1-2H3,(H,13,14)(H,15,16)/t8-,11?/m1/s1
InChIKeyZYHFJMXOXNHPJM-RZZZFEHKSA-N
MW228.29 g/mol
LogP0.36
Rot. Bonds5

About 2-methyl-2-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]butanoic acid

2-methyl-2-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]butanoic acid (PubChem CID 104901372) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-methyl-2-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]butanoic acid
PubChem CID104901372
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-methyl-2-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]butanoic acid
SMILESCCC(C)(CNC(=O)[C@H]1CCCN1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-3-11(2,10(15)16)7-13-9(14)8-5-4-6-12-8/h8,12H,3-7H2,1-2H3,(H,13,14)(H,15,16)/t8-,11?/m1/s1
InChIKeyZYHFJMXOXNHPJM-RZZZFEHKSA-N
XLogP0.36
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]butanoic 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

N-(2,2-dimethylbutyl)pyrrolidine-2-carboxamide
CID 103461668
2-hydroxy-2-methyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid
CID 104901235
2-methyl-2-[[(4-methylpiperidine-2-carbonyl)amino]methyl]butanoic acid
CID 114424387
(2R)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 106276954
N-(2-methyl-2-methylsulfanylpropyl)pyrrolidine-2-carboxamide
CID 115666735
N-(2,3-dihydroxy-2-methylpropyl)pyrrolidine-2-carboxamide
CID 66188372
N-(2,2-diethylbutyl)piperidine-2-carboxamide;hydrochloride
CID 119345447
(2R)-N-ethylpyrrolidine-2-carboxamide;molecular hydrogen
CID 178045420
N-propylpyrrolidine-2-carboxamide
CID 4984185
2-[(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)methyl]-2-methylbutanoic acid
CID 102893529
(2S)-N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-2-carboxamide
CID 106176647
(2R)-N-(4-hydroxy-2,2-dimethylbutyl)piperidine-2-carboxamide
CID 106147826

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]butanoic acid?
The IUPAC name of 2-methyl-2-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]butanoic acid (CID 104901372) is 2-methyl-2-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]butanoic acid.
What is the SMILES notation for 2-methyl-2-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]butanoic acid?
The canonical SMILES for 2-methyl-2-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]butanoic acid is CCC(C)(CNC(=O)[C@H]1CCCN1)C(=O)O.
What is the InChIKey of 2-methyl-2-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]butanoic acid?
The InChIKey is ZYHFJMXOXNHPJM-RZZZFEHKSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-11(2,10(15)16)7-13-9(14)8-5-4-6-12-8/h8,12H,3-7H2,1-2H3,(H,13,14)(H,15,16)/t8-,11?/m1/s1.
What are the key properties of 2-methyl-2-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]butanoic acid?
2-methyl-2-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]butanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]butanoic acid is sourced from PubChem (CID 104901372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).