(2R)-3-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]butanoic acid

C11H20N2O3 — CID 79010718

IUPAC(2R)-3-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]butanoic acid
SMILESCC(C)[C@@H](NC(=O)C1CCN(C)C1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-7(2)9(11(15)16)12-10(14)8-4-5-13(3)6-8/h7-9H,4-6H2,1-3H3,(H,12,14)(H,15,16)/t8?,9-/m1/s1
InChIKeyBHEUEABEVFRNMD-YGPZHTELSA-N
MW228.29 g/mol
LogP0.16
Rot. Bonds4

About (2R)-3-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]butanoic acid

(2R)-3-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]butanoic acid (PubChem CID 79010718) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is (2R)-3-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]butanoic acid
PubChem CID79010718
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name(2R)-3-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]butanoic acid
SMILESCC(C)[C@@H](NC(=O)C1CCN(C)C1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-7(2)9(11(15)16)12-10(14)8-4-5-13(3)6-8/h7-9H,4-6H2,1-3H3,(H,12,14)(H,15,16)/t8?,9-/m1/s1
InChIKeyBHEUEABEVFRNMD-YGPZHTELSA-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

tert-butyl (2R)-3-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]butanoate
CID 81003648
3-methyl-2-[[(1-methylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid
CID 65219948
(2R)-2-[(1-methylpyrrolidine-3-carbonyl)amino]pentanoic acid
CID 107562789
3-methyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]butanoic acid
CID 119136333
N-[(2S)-1-hydroxypropan-2-yl]-1-methylpyrrolidine-3-carboxamide
CID 131154627
N-[(2R)-1-aminopropan-2-yl]-1-methylpyrrolidine-3-carboxamide
CID 104877076
2-(cyclohexanecarbonylamino)-3-methylbutanoic acid
CID 2958090
(2S)-2-(cyclohexanecarbonylamino)-3-methylbutanoic acid
CID 972243
(2S)-3-methyl-2-[3-(1-methylpiperidin-4-yl)propanoylamino]butanoic acid
CID 110837593
(2R)-2-[(3-aminocyclopentanecarbonyl)amino]-3-methylbutanoic acid
CID 66009453
3-methyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 43354000
2-methyl-4-[(1-methylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 80539207

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]butanoic acid?
The IUPAC name of (2R)-3-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]butanoic acid (CID 79010718) is (2R)-3-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]butanoic acid is CC(C)[C@@H](NC(=O)C1CCN(C)C1)C(=O)O.
What is the InChIKey of (2R)-3-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]butanoic acid?
The InChIKey is BHEUEABEVFRNMD-YGPZHTELSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-7(2)9(11(15)16)12-10(14)8-4-5-13(3)6-8/h7-9H,4-6H2,1-3H3,(H,12,14)(H,15,16)/t8?,9-/m1/s1.
What are the key properties of (2R)-3-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]butanoic acid?
(2R)-3-methyl-2-[(1-methylpyrrolidine-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-[(1-methylpyrrolidine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 79010718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).