methyl N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate

C10H18N2O3 — CID 145019420

IUPACmethyl N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
SMILESCOC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C
InChIInChI=1S/C10H18N2O3/c1-7-5-4-6-12(7)9(13)8(2)11-10(14)15-3/h7-8H,4-6H2,1-3H3,(H,11,14)/t7-,8+/m1/s1
InChIKeyACRVABDFDDNUNH-SFYZADRCSA-N
MW214.26 g/mol
LogP0.74
Rot. Bonds2

About methyl N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate

methyl N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate (PubChem CID 145019420) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is methyl N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
PubChem CID145019420
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Namemethyl N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
SMILESCOC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C
InChIInChI=1S/C10H18N2O3/c1-7-5-4-6-12(7)9(13)8(2)11-10(14)15-3/h7-8H,4-6H2,1-3H3,(H,11,14)/t7-,8+/m1/s1
InChIKeyACRVABDFDDNUNH-SFYZADRCSA-N
XLogP0.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[1-cyclopentyl-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 68574299
2-(methylamino)-N-[1-(2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]propanamide
CID 123953640
methyl N-[1-(2-ethenylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate
CID 123841575
1-cyclopropyl-3-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]urea
CID 95285970
methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylate
CID 18928254
methyl (2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylate
CID 139066167
(2S)-2-[(2-methylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 61207464
methyl N-[2-(2-methylpyrrolidin-1-yl)-2-oxo-1-(oxolan-3-yl)ethyl]carbamate
CID 90196570
(2S)-2,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 142133713
1-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-propylurea
CID 95339356
1-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-prop-2-ynylurea
CID 95334528
[(2R)-1-[(2S)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl] carbamate
CID 175179046

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate?
The IUPAC name of methyl N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate (CID 145019420) is methyl N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for methyl N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for methyl N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate is COC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C.
What is the InChIKey of methyl N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate?
The InChIKey is ACRVABDFDDNUNH-SFYZADRCSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7-5-4-6-12(7)9(13)8(2)11-10(14)15-3/h7-8H,4-6H2,1-3H3,(H,11,14)/t7-,8+/m1/s1.
What are the key properties of methyl N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate?
methyl N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate has a molecular weight of 214.26 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 145019420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).