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

C11H20N2O3 — CID 107562789

IUPAC(2R)-2-[(1-methylpyrrolidine-3-carbonyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)C1CCN(C)C1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-3-4-9(11(15)16)12-10(14)8-5-6-13(2)7-8/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16)/t8?,9-/m1/s1
InChIKeyJAMVUXJWYVLHFT-YGPZHTELSA-N
MW228.29 g/mol
LogP0.31
Rot. Bonds5

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

(2R)-2-[(1-methylpyrrolidine-3-carbonyl)amino]pentanoic acid (PubChem CID 107562789) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is (2R)-2-[(1-methylpyrrolidine-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(1-methylpyrrolidine-3-carbonyl)amino]pentanoic acid
PubChem CID107562789
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name(2R)-2-[(1-methylpyrrolidine-3-carbonyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)C1CCN(C)C1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-3-4-9(11(15)16)12-10(14)8-5-6-13(2)7-8/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16)/t8?,9-/m1/s1
InChIKeyJAMVUXJWYVLHFT-YGPZHTELSA-N
XLogP0.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]pentanoic acid
CID 107566455
(2R)-3-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 79010718
(2R)-2-[(4-butylcyclohexanecarbonyl)amino]pentanoic acid
CID 107563614
2-[(3-methylcyclobutanecarbonyl)amino]pentanoic acid
CID 115923946
N-[(2S)-1-hydroxypropan-2-yl]-1-methylpyrrolidine-3-carboxamide
CID 131154627
(2S)-4-amino-2-[(1-methylpiperidine-4-carbonyl)amino]-4-oxobutanoic acid
CID 110837241
2-methyl-4-[(1-methylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 80539207
(2R)-3-(1H-imidazol-5-yl)-2-[(1-methylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 104894143
(2S)-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 107566429
(2S)-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]hexanoic acid
CID 120615417
2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 43630634
N-[(2R)-1-aminopropan-2-yl]-1-methylpyrrolidine-3-carboxamide
CID 104877076

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-methylpyrrolidine-3-carbonyl)amino]pentanoic acid?
The IUPAC name of (2R)-2-[(1-methylpyrrolidine-3-carbonyl)amino]pentanoic acid (CID 107562789) is (2R)-2-[(1-methylpyrrolidine-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[(1-methylpyrrolidine-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2R)-2-[(1-methylpyrrolidine-3-carbonyl)amino]pentanoic acid is CCC[C@@H](NC(=O)C1CCN(C)C1)C(=O)O.
What is the InChIKey of (2R)-2-[(1-methylpyrrolidine-3-carbonyl)amino]pentanoic acid?
The InChIKey is JAMVUXJWYVLHFT-YGPZHTELSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-4-9(11(15)16)12-10(14)8-5-6-13(2)7-8/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16)/t8?,9-/m1/s1.
What are the key properties of (2R)-2-[(1-methylpyrrolidine-3-carbonyl)amino]pentanoic acid?
(2R)-2-[(1-methylpyrrolidine-3-carbonyl)amino]pentanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-methylpyrrolidine-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 107562789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).