methyl (3R)-3-hydroxypyrrolidine-2-carboxylate

C6H11NO3 — CID 54509998

IUPACmethyl (3R)-3-hydroxypyrrolidine-2-carboxylate
SMILESCOC(=O)C1NCC[C@H]1O
InChIInChI=1S/C6H11NO3/c1-10-6(9)5-4(8)2-3-7-5/h4-5,7-8H,2-3H2,1H3/t4-,5?/m1/s1
InChIKeyYIKYEFZGORKEBX-CNZKWPKMSA-N
MW145.16 g/mol
LogP-1.12
Rot. Bonds1

About methyl (3R)-3-hydroxypyrrolidine-2-carboxylate

methyl (3R)-3-hydroxypyrrolidine-2-carboxylate (PubChem CID 54509998) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is methyl (3R)-3-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-3-hydroxypyrrolidine-2-carboxylate
PubChem CID54509998
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Namemethyl (3R)-3-hydroxypyrrolidine-2-carboxylate
SMILESCOC(=O)C1NCC[C@H]1O
InChIInChI=1S/C6H11NO3/c1-10-6(9)5-4(8)2-3-7-5/h4-5,7-8H,2-3H2,1H3/t4-,5?/m1/s1
InChIKeyYIKYEFZGORKEBX-CNZKWPKMSA-N
XLogP-1.12
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S,3S,4R)-3,4-dihydroxypiperidine-2-carboxylate
CID 178197389
methyl (2R,3S)-3-hydroxypiperidine-2-carboxylate;hydrochloride
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methyl (2S,3R)-3-methylpyrrolidine-2-carboxylate
CID 45089991
methyl 3-aminopyrrolidine-2-carboxylate
CID 75089215
methyl (2S,3R)-3-aminopyrrolidine-2-carboxylate
CID 45090024
methyl (2S)-3-aminopyrrolidine-2-carboxylate
CID 141294967
1-[(2S)-3-hydroxypyrrolidin-2-yl]ethanone
CID 89382043
ethane;1-(3-hydroxypyrrolidin-2-yl)ethanone
CID 166119609
methyl (2R,3R)-3-methylpiperazine-2-carboxylate
CID 154851459
methyl 3-phenylpyrrolidine-2-carboxylate
CID 18663579
zinc;(2S)-3-hydroxypyrrolidine-2-carboxylate;(2S,3S)-3-hydroxypyrrolidine-2-carboxylate
CID 68645772
methyl (2S,3S)-3-prop-2-enoxypyrrolidine-2-carboxylate
CID 168721496

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of methyl (3R)-3-hydroxypyrrolidine-2-carboxylate (CID 54509998) is methyl (3R)-3-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (3R)-3-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for methyl (3R)-3-hydroxypyrrolidine-2-carboxylate is COC(=O)C1NCC[C@H]1O.
What is the InChIKey of methyl (3R)-3-hydroxypyrrolidine-2-carboxylate?
The InChIKey is YIKYEFZGORKEBX-CNZKWPKMSA-N. The full InChI is InChI=1S/C6H11NO3/c1-10-6(9)5-4(8)2-3-7-5/h4-5,7-8H,2-3H2,1H3/t4-,5?/m1/s1.
What are the key properties of methyl (3R)-3-hydroxypyrrolidine-2-carboxylate?
methyl (3R)-3-hydroxypyrrolidine-2-carboxylate has a molecular weight of 145.16 g/mol, XLogP of -1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 54509998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).