methyl 5-(hydroxymethyl)pyrrolidine-2-carboxylate

C7H13NO3 — CID 70678997

IUPACmethyl 5-(hydroxymethyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCC(CO)N1
InChIInChI=1S/C7H13NO3/c1-11-7(10)6-3-2-5(4-9)8-6/h5-6,8-9H,2-4H2,1H3
InChIKeyMVBWEDQLROJLNC-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.73
Rot. Bonds2

About methyl 5-(hydroxymethyl)pyrrolidine-2-carboxylate

methyl 5-(hydroxymethyl)pyrrolidine-2-carboxylate (PubChem CID 70678997) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is methyl 5-(hydroxymethyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(hydroxymethyl)pyrrolidine-2-carboxylate
PubChem CID70678997
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Namemethyl 5-(hydroxymethyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCC(CO)N1
InChIInChI=1S/C7H13NO3/c1-11-7(10)6-3-2-5(4-9)8-6/h5-6,8-9H,2-4H2,1H3
InChIKeyMVBWEDQLROJLNC-UHFFFAOYSA-N
XLogP-0.73
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-(hydroxymethyl)pyrrolidine-2-carboxylate
CID 117273935
methyl (2S,5R)-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 57118426
methyl (2R,5R)-5-methylpyrrolidine-2-carboxylate
CID 45089980
methyl (2S,5R)-5-methylpyrrolidine-2-carboxylate;hydrochloride
CID 162341812
methyl (2S,5R)-5-ethenylpyrrolidine-2-carboxylate
CID 11829675
methyl 6-methylpiperidine-2-carboxylate
CID 13205605
tert-butyl (2S,5S)-5-ethylpyrrolidine-2-carboxylate
CID 70085828
ethyl (2S,5R)-5-(2-ethoxy-2-oxoethyl)pyrrolidine-2-carboxylate
CID 162684709
5-(methoxymethyl)pyrrolidine-2-carboxylic acid
CID 112575004
methyl (2S)-aziridine-2-carboxylate
CID 10329257
methyl (3S,5S)-5-(aminomethyl)morpholine-3-carboxylate
CID 141446845
methyl 5-phenylpyrrolidine-2-carboxylate
CID 67257959

Frequently Asked Questions

What is the IUPAC name of methyl 5-(hydroxymethyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 5-(hydroxymethyl)pyrrolidine-2-carboxylate (CID 70678997) is methyl 5-(hydroxymethyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 5-(hydroxymethyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 5-(hydroxymethyl)pyrrolidine-2-carboxylate is COC(=O)C1CCC(CO)N1.
What is the InChIKey of methyl 5-(hydroxymethyl)pyrrolidine-2-carboxylate?
The InChIKey is MVBWEDQLROJLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-11-7(10)6-3-2-5(4-9)8-6/h5-6,8-9H,2-4H2,1H3.
What are the key properties of methyl 5-(hydroxymethyl)pyrrolidine-2-carboxylate?
methyl 5-(hydroxymethyl)pyrrolidine-2-carboxylate has a molecular weight of 159.18 g/mol, XLogP of -0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(hydroxymethyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 70678997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).