methyl (2S)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate

C10H17NO3 — CID 15283061

IUPACmethyl (2S)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1C(=O)C(C)C
InChIInChI=1S/C10H17NO3/c1-7(2)9(12)11-6-4-5-8(11)10(13)14-3/h7-8H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyXGIWOSANNAFXIK-QMMMGPOBSA-N
MW199.25 g/mol
LogP0.81
Rot. Bonds2

About methyl (2S)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate

methyl (2S)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate (PubChem CID 15283061) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is methyl (2S)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
PubChem CID15283061
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namemethyl (2S)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1C(=O)C(C)C
InChIInChI=1S/C10H17NO3/c1-7(2)9(12)11-6-4-5-8(11)10(13)14-3/h7-8H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyXGIWOSANNAFXIK-QMMMGPOBSA-N
XLogP0.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxylate
CID 79507346
methyl (2R)-1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate
CID 79833510
methyl (2S)-1-[(2R)-2-methyl-4-oxopentanoyl]pyrrolidine-2-carboxylate
CID 11974374
methyl 1-(2-methyl-3-methylsulfanylpropanoyl)pyrrolidine-2-carboxylate
CID 551045
methyl (2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylate
CID 139066167
methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylate
CID 18928254
methyl (2S)-1-[(2R,3S)-2,3-dihydroxy-4-methoxy-4-oxobutanoyl]pyrrolidine-2-carboxylate
CID 102320964
3-(2-methoxycarbonylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid
CID 114897501
methyl 1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carboxylate
CID 18411452
methyl 1-(2,2-difluoroacetyl)piperidine-2-carboxylate
CID 103514360
methyl 1-(2-bromobutanoyl)pyrrolidine-2-carboxylate
CID 62855013
methyl 1-(2-amino-4-methylpentanoyl)pyrrolidine-2-carboxylate;hydrochloride
CID 70062409

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate (CID 15283061) is methyl (2S)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate is COC(=O)[C@@H]1CCCN1C(=O)C(C)C.
What is the InChIKey of methyl (2S)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate?
The InChIKey is XGIWOSANNAFXIK-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7(2)9(12)11-6-4-5-8(11)10(13)14-3/h7-8H,4-6H2,1-3H3/t8-/m0/s1.
What are the key properties of methyl (2S)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate?
methyl (2S)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 15283061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).