methyl N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamate

C11H20N2O3 — CID 58449518

IUPACmethyl N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamate
SMILESCOC(=O)N[C@H](C(=O)N1CCCC1)C(C)C
InChIInChI=1S/C11H20N2O3/c1-8(2)9(12-11(15)16-3)10(14)13-6-4-5-7-13/h8-9H,4-7H2,1-3H3,(H,12,15)/t9-/m0/s1
InChIKeyLNLSIXKNYQWOSP-VIFPVBQESA-N
MW228.29 g/mol
LogP0.99
Rot. Bonds3

About methyl N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamate

methyl N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamate (PubChem CID 58449518) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamate
PubChem CID58449518
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namemethyl N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamate
SMILESCOC(=O)N[C@H](C(=O)N1CCCC1)C(C)C
InChIInChI=1S/C11H20N2O3/c1-8(2)9(12-11(15)16-3)10(14)13-6-4-5-7-13/h8-9H,4-7H2,1-3H3,(H,12,15)/t9-/m0/s1
InChIKeyLNLSIXKNYQWOSP-VIFPVBQESA-N
XLogP0.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-(azocan-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate
CID 142133698
but-2-en-2-yl N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)carbamate
CID 123803320
methyl N-[(2S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 118549134
2,2-dimethyl-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]propanamide
CID 110348620
methyl N-[(2S)-3-methyl-1-[(3R)-3-(methylcarbamoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
CID 90136532
tert-butyl N-[(2S)-1-(1,4-diazepan-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate
CID 26384928
2-ethyl-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]butanamide
CID 110348621
propan-2-yl 2-[(3S)-1-[(2R)-2-(methoxycarbonylamino)-3-methylbutanoyl]piperidin-3-yl]acetate
CID 99784554
methyl N-[(1S)-1-cyclopropyl-2-oxo-2-pyrrolidin-1-ylethyl]carbamate
CID 126658283
4-methoxy-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide
CID 7997539
2,6-dimethoxy-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]benzamide
CID 110348628
N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]butanamide
CID 110349052

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamate?
The IUPAC name of methyl N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamate (CID 58449518) is methyl N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamate.
What is the SMILES notation for methyl N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamate?
The canonical SMILES for methyl N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamate is COC(=O)N[C@H](C(=O)N1CCCC1)C(C)C.
What is the InChIKey of methyl N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamate?
The InChIKey is LNLSIXKNYQWOSP-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(2)9(12-11(15)16-3)10(14)13-6-4-5-7-13/h8-9H,4-7H2,1-3H3,(H,12,15)/t9-/m0/s1.
What are the key properties of methyl N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamate?
methyl N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamate has a molecular weight of 228.29 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamate is sourced from PubChem (CID 58449518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).