methyl (2S)-2-(3-amino-5-methyl-2-oxopyrrolidin-1-yl)-3-phenylpropanoate

C15H20N2O3 — CID 145173321

IUPACmethyl (2S)-2-(3-amino-5-methyl-2-oxopyrrolidin-1-yl)-3-phenylpropanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)N1C(=O)C(N)CC1C
InChIInChI=1S/C15H20N2O3/c1-10-8-12(16)14(18)17(10)13(15(19)20-2)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9,16H2,1-2H3/t10?,12?,13-/m0/s1
InChIKeyDMCYGCVOYZRLSW-GDKBPFBDSA-N
MW276.34 g/mol
LogP0.72
Rot. Bonds4

About methyl (2S)-2-(3-amino-5-methyl-2-oxopyrrolidin-1-yl)-3-phenylpropanoate

methyl (2S)-2-(3-amino-5-methyl-2-oxopyrrolidin-1-yl)-3-phenylpropanoate (PubChem CID 145173321) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl (2S)-2-(3-amino-5-methyl-2-oxopyrrolidin-1-yl)-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(3-amino-5-methyl-2-oxopyrrolidin-1-yl)-3-phenylpropanoate
PubChem CID145173321
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namemethyl (2S)-2-(3-amino-5-methyl-2-oxopyrrolidin-1-yl)-3-phenylpropanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)N1C(=O)C(N)CC1C
InChIInChI=1S/C15H20N2O3/c1-10-8-12(16)14(18)17(10)13(15(19)20-2)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9,16H2,1-2H3/t10?,12?,13-/m0/s1
InChIKeyDMCYGCVOYZRLSW-GDKBPFBDSA-N
XLogP0.72
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-[(3S)-3-amino-5-methyl-2-oxopyrrolidin-1-yl]-4-methylpentanoate
CID 169191961
methyl 2-(3-amino-2-oxo-4-phenylazetidin-1-yl)-3-phenylpropanoate
CID 20522477
methyl (2S)-2-[4-[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]piperazin-1-yl]-3-phenylpropanoate
CID 11090885
methyl 2-[(3R,4R)-3-acetyl-2-oxo-4-prop-1-en-2-ylazetidin-1-yl]-3-phenylpropanoate
CID 15358912
[4-[(2S)-3-methoxy-2-[5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]-3-oxopropyl]phenyl]boronic acid
CID 168938874
methyl (2R)-2-(2,5-dihydropyrrol-1-yl)-3-phenylpropanoate
CID 135574815
methyl 3-phenyl-2-pyrrolidin-1-ylpropanoate
CID 20833938
2-(3-amino-5-methyl-2-oxopyrrolidin-1-yl)-4-methylpentanoic acid
CID 118551219
methyl 2-[(2S)-2-(benzylsulfanylmethyl)aziridin-1-yl]-3-phenylpropanoate
CID 87899013
methyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-phenylpropanoate
CID 3288684
methyl (2R)-2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-3-phenylpropanoate
CID 168503334
ethyl 2-(3-amino-2,5-dioxopyrrolidin-1-yl)-3-phenylpropanoate
CID 139636721

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(3-amino-5-methyl-2-oxopyrrolidin-1-yl)-3-phenylpropanoate?
The IUPAC name of methyl (2S)-2-(3-amino-5-methyl-2-oxopyrrolidin-1-yl)-3-phenylpropanoate (CID 145173321) is methyl (2S)-2-(3-amino-5-methyl-2-oxopyrrolidin-1-yl)-3-phenylpropanoate.
What is the SMILES notation for methyl (2S)-2-(3-amino-5-methyl-2-oxopyrrolidin-1-yl)-3-phenylpropanoate?
The canonical SMILES for methyl (2S)-2-(3-amino-5-methyl-2-oxopyrrolidin-1-yl)-3-phenylpropanoate is COC(=O)[C@H](Cc1ccccc1)N1C(=O)C(N)CC1C.
What is the InChIKey of methyl (2S)-2-(3-amino-5-methyl-2-oxopyrrolidin-1-yl)-3-phenylpropanoate?
The InChIKey is DMCYGCVOYZRLSW-GDKBPFBDSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-8-12(16)14(18)17(10)13(15(19)20-2)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9,16H2,1-2H3/t10?,12?,13-/m0/s1.
What are the key properties of methyl (2S)-2-(3-amino-5-methyl-2-oxopyrrolidin-1-yl)-3-phenylpropanoate?
methyl (2S)-2-(3-amino-5-methyl-2-oxopyrrolidin-1-yl)-3-phenylpropanoate has a molecular weight of 276.34 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(3-amino-5-methyl-2-oxopyrrolidin-1-yl)-3-phenylpropanoate is sourced from PubChem (CID 145173321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).