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

C9H16N2O3 — CID 175179046

IUPAC[(2R)-1-[(2S)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl] carbamate
SMILESC[C@@H](OC(N)=O)C(=O)N1CCC[C@@H]1C
InChIInChI=1S/C9H16N2O3/c1-6-4-3-5-11(6)8(12)7(2)14-9(10)13/h6-7H,3-5H2,1-2H3,(H2,10,13)/t6-,7+/m0/s1
InChIKeyXCQYGYOFKRRVJN-NKWVEPMBSA-N
MW200.24 g/mol
LogP0.48
Rot. Bonds2

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

[(2R)-1-[(2S)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl] carbamate (PubChem CID 175179046) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is [(2R)-1-[(2S)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl] carbamate.

Molecular Properties

Compound Name[(2R)-1-[(2S)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl] carbamate
PubChem CID175179046
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name[(2R)-1-[(2S)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl] carbamate
SMILESC[C@@H](OC(N)=O)C(=O)N1CCC[C@@H]1C
InChIInChI=1S/C9H16N2O3/c1-6-4-3-5-11(6)8(12)7(2)14-9(10)13/h6-7H,3-5H2,1-2H3,(H2,10,13)/t6-,7+/m0/s1
InChIKeyXCQYGYOFKRRVJN-NKWVEPMBSA-N
XLogP0.48
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 142133713
propan-2-yl 2-methylpyrrolidine-1-carboxylate
CID 58164988
(2S,3S)-2,3-dimethyl-1-[(2R)-2-methylpyrrolidin-1-yl]pentan-1-one
CID 58185317
methyl N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 145019420
2-amino-4-methoxy-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 62472696
2-hydroxy-1-(2-methylpiperidin-1-yl)propan-1-one
CID 86060636
(2R)-1-[(2R)-2-acetyloxypropanoyl]pyrrolidine-2-carboxylic acid
CID 178172655
2-ethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 110728155
(2R)-2-amino-5-(2-methylpyrrolidin-1-yl)-5-oxopentanoic acid
CID 139553940
2-methoxy-1-(2-methylazetidin-1-yl)propan-1-one
CID 130709295
2-methyl-N'-propan-2-ylpyrrolidine-1-carboximidamide
CID 62364532
2,2-dichloro-1-(2-methylpiperidin-1-yl)ethanone
CID 3528857

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(2S)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl] carbamate?
The IUPAC name of [(2R)-1-[(2S)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl] carbamate (CID 175179046) is [(2R)-1-[(2S)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl] carbamate.
What is the SMILES notation for [(2R)-1-[(2S)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl] carbamate?
The canonical SMILES for [(2R)-1-[(2S)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl] carbamate is C[C@@H](OC(N)=O)C(=O)N1CCC[C@@H]1C.
What is the InChIKey of [(2R)-1-[(2S)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl] carbamate?
The InChIKey is XCQYGYOFKRRVJN-NKWVEPMBSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-6-4-3-5-11(6)8(12)7(2)14-9(10)13/h6-7H,3-5H2,1-2H3,(H2,10,13)/t6-,7+/m0/s1.
What are the key properties of [(2R)-1-[(2S)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl] carbamate?
[(2R)-1-[(2S)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl] carbamate has a molecular weight of 200.24 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(2S)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl] carbamate is sourced from PubChem (CID 175179046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).