2-hydroxyethyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate

C8H15NO4 — CID 112629389

IUPAC2-hydroxyethyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate
SMILESO=C(OCCO)N1CCC(CO)C1
InChIInChI=1S/C8H15NO4/c10-3-4-13-8(12)9-2-1-7(5-9)6-11/h7,10-11H,1-6H2
InChIKeySNJLZCNWDFHYMK-UHFFFAOYSA-N
MW189.21 g/mol
LogP-0.57
Rot. Bonds3

About 2-hydroxyethyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate

2-hydroxyethyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate (PubChem CID 112629389) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-hydroxyethyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate
PubChem CID112629389
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name2-hydroxyethyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate
SMILESO=C(OCCO)N1CCC(CO)C1
InChIInChI=1S/C8H15NO4/c10-3-4-13-8(12)9-2-1-7(5-9)6-11/h7,10-11H,1-6H2
InChIKeySNJLZCNWDFHYMK-UHFFFAOYSA-N
XLogP-0.57
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

prop-2-enyl (3S)-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 165416751
butyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate
CID 95473768
(3R)-3-(hydroxymethyl)-N-methoxypyrrolidine-1-carboxamide
CID 130668438
2-hydroxyethyl 4-pyrrolidin-1-ylpiperidine-1-carboxylate
CID 79349412
2-hydroxyethyl 4-(diethylamino)piperidine-1-carboxylate
CID 79346546
2-hydroxyethyl 4-(ethylsulfonylamino)piperidine-1-carboxylate
CID 79345168
butyl 3-(hydroxymethyl)azetidine-1-carboxylate
CID 69261484
methyl 3-(hydroxymethyl)piperidine-1-carboxylate
CID 20598102
methyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate
CID 121340788
(2S)-2-amino-1-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 129393084
methylaminomethyl 3-ethylpyrrolidine-1-carboxylate
CID 171073093
tert-butyl 3-(2-hydroxyethoxymethyl)pyrrolidine-1-carboxylate
CID 66563815

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate?
The IUPAC name of 2-hydroxyethyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate (CID 112629389) is 2-hydroxyethyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for 2-hydroxyethyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for 2-hydroxyethyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate is O=C(OCCO)N1CCC(CO)C1.
What is the InChIKey of 2-hydroxyethyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate?
The InChIKey is SNJLZCNWDFHYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c10-3-4-13-8(12)9-2-1-7(5-9)6-11/h7,10-11H,1-6H2.
What are the key properties of 2-hydroxyethyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate?
2-hydroxyethyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate has a molecular weight of 189.21 g/mol, XLogP of -0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 112629389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).