methyl (2R)-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoate

C11H20N2O3 — CID 99715442

IUPACmethyl (2R)-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoate
SMILESCC[C@@H](NCC(=O)N1CCCC1)C(=O)OC
InChIInChI=1S/C11H20N2O3/c1-3-9(11(15)16-2)12-8-10(14)13-6-4-5-7-13/h9,12H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyOIBYPLIAHHLQFK-SECBINFHSA-N
MW228.29 g/mol
LogP0.15
Rot. Bonds5

About methyl (2R)-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoate

methyl (2R)-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoate (PubChem CID 99715442) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl (2R)-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoate
PubChem CID99715442
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namemethyl (2R)-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoate
SMILESCC[C@@H](NCC(=O)N1CCCC1)C(=O)OC
InChIInChI=1S/C11H20N2O3/c1-3-9(11(15)16-2)12-8-10(14)13-6-4-5-7-13/h9,12H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyOIBYPLIAHHLQFK-SECBINFHSA-N
XLogP0.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azocan-1-yl)-2-(butan-2-ylamino)ethanone
CID 60671529
1-(azepan-1-yl)-2-(3-methylpentan-2-ylamino)ethanone
CID 54950649
3-methoxy-2-[(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid
CID 103262728
2-(1-hydroxybutan-2-ylamino)-1-piperidin-1-ylethanone
CID 43392797
1-(azepan-1-yl)-2-(pentan-2-ylamino)ethanone
CID 43179556
3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanamide
CID 115676331
methyl 3-hydroxy-2-(pyrrolidine-1-carbonylamino)propanoate
CID 79162041
2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 106159700
methyl 4-methyl-2-[(2-morpholin-4-yl-2-oxoethyl)amino]pentanoate
CID 54940231
1-(azepan-1-yl)-2-(1,3-dihydroxypropan-2-ylamino)ethanone
CID 65314653
2-(4-hydroxybutan-2-ylamino)-1-pyrrolidin-1-ylethanone
CID 83176699
(2S)-2-[[2-(azocan-1-yl)-2-oxoethyl]amino]propanoic acid
CID 83194502

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoate?
The IUPAC name of methyl (2R)-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoate (CID 99715442) is methyl (2R)-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoate.
What is the SMILES notation for methyl (2R)-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoate?
The canonical SMILES for methyl (2R)-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoate is CC[C@@H](NCC(=O)N1CCCC1)C(=O)OC.
What is the InChIKey of methyl (2R)-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoate?
The InChIKey is OIBYPLIAHHLQFK-SECBINFHSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-9(11(15)16-2)12-8-10(14)13-6-4-5-7-13/h9,12H,3-8H2,1-2H3/t9-/m1/s1.
What are the key properties of methyl (2R)-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoate?
methyl (2R)-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoate has a molecular weight of 228.29 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoate is sourced from PubChem (CID 99715442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).