methyl (2S)-2-methyl-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]butanoate

C18H24N2O4 — CID 94799774

IUPACmethyl (2S)-2-methyl-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]butanoate
SMILESCC[C@](C)(NC(=O)c1ccc(N2CCCCC2=O)cc1)C(=O)OC
InChIInChI=1S/C18H24N2O4/c1-4-18(2,17(23)24-3)19-16(22)13-8-10-14(11-9-13)20-12-6-5-7-15(20)21/h8-11H,4-7,12H2,1-3H3,(H,19,22)/t18-/m0/s1
InChIKeyNYKKIRJXBDDXSO-SFHVURJKSA-N
MW332.40 g/mol
LogP2.28
Rot. Bonds5

About methyl (2S)-2-methyl-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]butanoate

methyl (2S)-2-methyl-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]butanoate (PubChem CID 94799774) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is methyl (2S)-2-methyl-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]butanoate.

Molecular Properties

Compound Namemethyl (2S)-2-methyl-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]butanoate
PubChem CID94799774
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Namemethyl (2S)-2-methyl-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]butanoate
SMILESCC[C@](C)(NC(=O)c1ccc(N2CCCCC2=O)cc1)C(=O)OC
InChIInChI=1S/C18H24N2O4/c1-4-18(2,17(23)24-3)19-16(22)13-8-10-14(11-9-13)20-12-6-5-7-15(20)21/h8-11H,4-7,12H2,1-3H3,(H,19,22)/t18-/m0/s1
InChIKeyNYKKIRJXBDDXSO-SFHVURJKSA-N
XLogP2.28
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-methyl-2-[[(E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoyl]amino]butanoate
CID 94798080
N-methoxy-4-(2-oxopiperidin-1-yl)benzamide
CID 51279408
4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide
CID 6621975
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
N-(2-methylpropyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 18106043
ethyl 4-(2-oxoazepan-1-yl)benzoate
CID 168817150
methyl 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate
CID 8747295
N-[1-(4-methoxyphenyl)propyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 24547712
N-[(4-hydroxy-3-methoxyphenyl)methyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 75414586
N-(4-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9412020
N-[[2-(methoxymethyl)phenyl]methyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 32604555
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18140044

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-methyl-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]butanoate?
The IUPAC name of methyl (2S)-2-methyl-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]butanoate (CID 94799774) is methyl (2S)-2-methyl-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]butanoate.
What is the SMILES notation for methyl (2S)-2-methyl-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]butanoate?
The canonical SMILES for methyl (2S)-2-methyl-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]butanoate is CC[C@](C)(NC(=O)c1ccc(N2CCCCC2=O)cc1)C(=O)OC.
What is the InChIKey of methyl (2S)-2-methyl-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]butanoate?
The InChIKey is NYKKIRJXBDDXSO-SFHVURJKSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-4-18(2,17(23)24-3)19-16(22)13-8-10-14(11-9-13)20-12-6-5-7-15(20)21/h8-11H,4-7,12H2,1-3H3,(H,19,22)/t18-/m0/s1.
What are the key properties of methyl (2S)-2-methyl-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]butanoate?
methyl (2S)-2-methyl-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]butanoate has a molecular weight of 332.40 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-methyl-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]butanoate is sourced from PubChem (CID 94799774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).