(2R)-3-methyl-2-[methyl-[(3S)-pyrrolidine-3-carbonyl]amino]butanoic acid

C11H20N2O3 — CID 164886400

IUPAC(2R)-3-methyl-2-[methyl-[(3S)-pyrrolidine-3-carbonyl]amino]butanoic acid
SMILESCC(C)[C@H](C(=O)O)N(C)C(=O)[C@H]1CCNC1
InChIInChI=1S/C11H20N2O3/c1-7(2)9(11(15)16)13(3)10(14)8-4-5-12-6-8/h7-9,12H,4-6H2,1-3H3,(H,15,16)/t8-,9+/m0/s1
InChIKeyIVOLUOSPEOEMNW-DTWKUNHWSA-N
MW228.29 g/mol
LogP0.16
Rot. Bonds4

About (2R)-3-methyl-2-[methyl-[(3S)-pyrrolidine-3-carbonyl]amino]butanoic acid

(2R)-3-methyl-2-[methyl-[(3S)-pyrrolidine-3-carbonyl]amino]butanoic acid (PubChem CID 164886400) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is (2R)-3-methyl-2-[methyl-[(3S)-pyrrolidine-3-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-[methyl-[(3S)-pyrrolidine-3-carbonyl]amino]butanoic acid
PubChem CID164886400
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name(2R)-3-methyl-2-[methyl-[(3S)-pyrrolidine-3-carbonyl]amino]butanoic acid
SMILESCC(C)[C@H](C(=O)O)N(C)C(=O)[C@H]1CCNC1
InChIInChI=1S/C11H20N2O3/c1-7(2)9(11(15)16)13(3)10(14)8-4-5-12-6-8/h7-9,12H,4-6H2,1-3H3,(H,15,16)/t8-,9+/m0/s1
InChIKeyIVOLUOSPEOEMNW-DTWKUNHWSA-N
XLogP0.16
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 63005298
cesium;carbanide;N,N-dimethylpyrrolidine-3-carboxamide
CID 177005866
(3R)-N-cyclopropyl-N-methylpyrrolidine-3-carboxamide
CID 94915741
(3S)-N-methyl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 131110681
(2S)-2-[[1-[(2R)-aziridine-2-carbonyl]piperidine-4-carbonyl]-methylamino]-3-methylbutanoic acid
CID 170062815
(2S)-3-methyl-2-(pyrrolidine-3-carbonylamino)butanoic acid
CID 63006443
2-[(2,6-dimethyloxane-4-carbonyl)-methylamino]-3-methylbutanoic acid
CID 110835687
3-methyl-2-[methyl-(2-methyloxane-4-carbonyl)amino]butanoic acid
CID 110835660
2-hydroxy-1-pyrrolidin-3-ylpropan-1-one
CID 91245652
3-methyl-2-[methyl-(1-methylpiperidine-3-carbonyl)amino]butanoic acid
CID 110837306
N-(2,2-dimethylpropyl)-N-methylpyrrolidine-3-carboxamide
CID 63005495
N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 114948903

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[methyl-[(3S)-pyrrolidine-3-carbonyl]amino]butanoic acid?
The IUPAC name of (2R)-3-methyl-2-[methyl-[(3S)-pyrrolidine-3-carbonyl]amino]butanoic acid (CID 164886400) is (2R)-3-methyl-2-[methyl-[(3S)-pyrrolidine-3-carbonyl]amino]butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-[methyl-[(3S)-pyrrolidine-3-carbonyl]amino]butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-[methyl-[(3S)-pyrrolidine-3-carbonyl]amino]butanoic acid is CC(C)[C@H](C(=O)O)N(C)C(=O)[C@H]1CCNC1.
What is the InChIKey of (2R)-3-methyl-2-[methyl-[(3S)-pyrrolidine-3-carbonyl]amino]butanoic acid?
The InChIKey is IVOLUOSPEOEMNW-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-7(2)9(11(15)16)13(3)10(14)8-4-5-12-6-8/h7-9,12H,4-6H2,1-3H3,(H,15,16)/t8-,9+/m0/s1.
What are the key properties of (2R)-3-methyl-2-[methyl-[(3S)-pyrrolidine-3-carbonyl]amino]butanoic acid?
(2R)-3-methyl-2-[methyl-[(3S)-pyrrolidine-3-carbonyl]amino]butanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[methyl-[(3S)-pyrrolidine-3-carbonyl]amino]butanoic acid is sourced from PubChem (CID 164886400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).