methyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetate

C7H13NO3 — CID 63365238

IUPACmethyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetate
SMILESCOC(=O)CN1CC[C@@H](O)C1
InChIInChI=1S/C7H13NO3/c1-11-7(10)5-8-3-2-6(9)4-8/h6,9H,2-5H2,1H3/t6-/m1/s1
InChIKeyTXNMLEVFVKWDGX-ZCFIWIBFSA-N
MW159.18 g/mol
LogP-0.77
Rot. Bonds2

About methyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetate

methyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetate (PubChem CID 63365238) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is methyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetate
PubChem CID63365238
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Namemethyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetate
SMILESCOC(=O)CN1CC[C@@H](O)C1
InChIInChI=1S/C7H13NO3/c1-11-7(10)5-8-3-2-6(9)4-8/h6,9H,2-5H2,1H3/t6-/m1/s1
InChIKeyTXNMLEVFVKWDGX-ZCFIWIBFSA-N
XLogP-0.77
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(3S)-3-aminopyrrolidin-1-yl]acetate
CID 94340238
methyl 2-(3-methoxypyrrolidin-1-yl)acetate
CID 103535132
methyl 1-(2-methoxy-2-oxoethyl)pyrrolidine-3-carboxylate
CID 14235523
1-(3-hydroxypyrrolidin-1-yl)propan-2-one
CID 23388482
methyl 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetate
CID 115648226
methyl 2-(4-bromopiperidin-1-yl)acetate
CID 156858791
methyl 2-(4-amino-3-ethylpiperidin-1-yl)acetate
CID 81460463
(4-ethoxyphenyl) 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetate
CID 66291413
N,N-diethyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963518
N-cyclopropyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78962419
methyl 2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetate
CID 69424198
methyl 3-carbamoyl-1-(2-methoxy-2-oxoethyl)piperidine-4-carboxylate
CID 67713903

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetate?
The IUPAC name of methyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetate (CID 63365238) is methyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetate?
The canonical SMILES for methyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetate is COC(=O)CN1CC[C@@H](O)C1.
What is the InChIKey of methyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetate?
The InChIKey is TXNMLEVFVKWDGX-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H13NO3/c1-11-7(10)5-8-3-2-6(9)4-8/h6,9H,2-5H2,1H3/t6-/m1/s1.
What are the key properties of methyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetate?
methyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetate has a molecular weight of 159.18 g/mol, XLogP of -0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetate is sourced from PubChem (CID 63365238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).