methyl (2S)-1-hydroxypyrrolidine-2-carboxylate

C6H11NO3 — CID 11240554

IUPACmethyl (2S)-1-hydroxypyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1O
InChIInChI=1S/C6H11NO3/c1-10-6(8)5-3-2-4-7(5)9/h5,9H,2-4H2,1H3/t5-/m0/s1
InChIKeyQYZUBBDYJGKUBR-YFKPBYRVSA-N
MW145.16 g/mol
LogP0.01
Rot. Bonds1

About methyl (2S)-1-hydroxypyrrolidine-2-carboxylate

methyl (2S)-1-hydroxypyrrolidine-2-carboxylate (PubChem CID 11240554) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is methyl (2S)-1-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-hydroxypyrrolidine-2-carboxylate
PubChem CID11240554
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Namemethyl (2S)-1-hydroxypyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1O
InChIInChI=1S/C6H11NO3/c1-10-6(8)5-3-2-4-7(5)9/h5,9H,2-4H2,1H3/t5-/m0/s1
InChIKeyQYZUBBDYJGKUBR-YFKPBYRVSA-N
XLogP0.01
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-methylpyrrolidine-2-carboxylate
CID 529062
phosphanyl 1-hydroxypyrrolidine-2-carboxylate
CID 164576898
tert-butyl 1-hydroxypyrrolidine-2-carboxylate
CID 22666904
methyl 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylate
CID 45115998
methyl (2S)-1-cycloheptylpyrrolidine-2-carboxylate;propane
CID 178021629
methyl (3S)-2-iodo-1-methyldiazinane-3-carboxylate
CID 142223423
methyl 1-ethenylpyrrolidine-2-carboxylate
CID 144567837
methyl 1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxylate
CID 79507346
methyl (2R)-1-aminopiperidine-2-carboxylate
CID 90433668
methyl (2S)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
CID 15283061
methyl 1-[2-(2-methoxycarbonylpyrrolidin-1-yl)-3,4-dioxocyclobuten-1-yl]pyrrolidine-2-carboxylate
CID 139616358
1-(2-methoxycarbonylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61199018

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S)-1-hydroxypyrrolidine-2-carboxylate (CID 11240554) is methyl (2S)-1-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S)-1-hydroxypyrrolidine-2-carboxylate is COC(=O)[C@@H]1CCCN1O.
What is the InChIKey of methyl (2S)-1-hydroxypyrrolidine-2-carboxylate?
The InChIKey is QYZUBBDYJGKUBR-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11NO3/c1-10-6(8)5-3-2-4-7(5)9/h5,9H,2-4H2,1H3/t5-/m0/s1.
What are the key properties of methyl (2S)-1-hydroxypyrrolidine-2-carboxylate?
methyl (2S)-1-hydroxypyrrolidine-2-carboxylate has a molecular weight of 145.16 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 11240554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).