(2S,3R)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoate

C11H19N2O3- — CID 6956443

IUPAC(2S,3R)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoate
SMILESCC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)[O-]
InChIInChI=1S/C11H20N2O3/c1-3-8(2)9(10(14)15)12-11(16)13-6-4-5-7-13/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)/p-1/t8-,9+/m1/s1
InChIKeyKTOQGKOUGRAJPY-BDAKNGLRSA-M
MW227.28 g/mol
LogP-0.04
Rot. Bonds4

About (2S,3R)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoate

(2S,3R)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoate (PubChem CID 6956443) has the molecular formula C11H19N2O3- and a molecular weight of 227.28 g/mol. Its IUPAC name is (2S,3R)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoate.

Molecular Properties

Compound Name(2S,3R)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoate
PubChem CID6956443
Molecular FormulaC11H19N2O3-
Molecular Weight227.28 g/mol
Exact Mass227.14
IUPAC Name(2S,3R)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoate
SMILESCC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)[O-]
InChIInChI=1S/C11H20N2O3/c1-3-8(2)9(10(14)15)12-11(16)13-6-4-5-7-13/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)/p-1/t8-,9+/m1/s1
InChIKeyKTOQGKOUGRAJPY-BDAKNGLRSA-M
XLogP-0.04
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S,3R)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoate 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

(2R,3S)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoic acid
CID 51420775
N-(3-methylpentan-2-yl)azepane-1-carboxamide
CID 115591353
N-butan-2-ylpyrrolidine-1-carboxamide
CID 17217776
(2S)-3-methyl-2-(1,4-thiazepane-4-carbonylamino)pentanoic acid
CID 61423283
3-methyl-2-(piperazine-1-carbonylamino)pentanoic acid
CID 61405662
methyl (2R,3S)-2-[(4-acetylpiperazine-1-carbonyl)amino]-3-methylpentanoate
CID 92508435
(2S)-3-methyl-2-[(4-propan-2-ylpiperidine-1-carbonyl)amino]pentanoic acid
CID 103500332
(3-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl)urea
CID 60634981
(2S)-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-3-methylpentanoic acid
CID 62931544
2-(2-hydroxypropanoylamino)-3-methylpentanoate
CID 156738738
N-[(2S)-1-(2-fluoroanilino)-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide
CID 56786314
(2S)-3-methyl-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 61440255

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoate?
The IUPAC name of (2S,3R)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoate (CID 6956443) is (2S,3R)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoate.
What is the SMILES notation for (2S,3R)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoate?
The canonical SMILES for (2S,3R)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoate is CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)[O-].
What is the InChIKey of (2S,3R)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoate?
The InChIKey is KTOQGKOUGRAJPY-BDAKNGLRSA-M. The full InChI is InChI=1S/C11H20N2O3/c1-3-8(2)9(10(14)15)12-11(16)13-6-4-5-7-13/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)/p-1/t8-,9+/m1/s1.
What are the key properties of (2S,3R)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoate?
(2S,3R)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoate has a molecular weight of 227.28 g/mol, XLogP of -0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoate is sourced from PubChem (CID 6956443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).