2-hydroxyethyl N-[(3-hydroxyoxolan-3-yl)methyl]carbamate

C8H15NO5 — CID 106103199

IUPAC2-hydroxyethyl N-[(3-hydroxyoxolan-3-yl)methyl]carbamate
SMILESO=C(NCC1(O)CCOC1)OCCO
InChIInChI=1S/C8H15NO5/c10-2-4-14-7(11)9-5-8(12)1-3-13-6-8/h10,12H,1-6H2,(H,9,11)
InChIKeyXIVQXLNSJSKEOT-UHFFFAOYSA-N
MW205.21 g/mol
LogP-1.14
Rot. Bonds4

About 2-hydroxyethyl N-[(3-hydroxyoxolan-3-yl)methyl]carbamate

2-hydroxyethyl N-[(3-hydroxyoxolan-3-yl)methyl]carbamate (PubChem CID 106103199) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-hydroxyethyl N-[(3-hydroxyoxolan-3-yl)methyl]carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-[(3-hydroxyoxolan-3-yl)methyl]carbamate
PubChem CID106103199
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name2-hydroxyethyl N-[(3-hydroxyoxolan-3-yl)methyl]carbamate
SMILESO=C(NCC1(O)CCOC1)OCCO
InChIInChI=1S/C8H15NO5/c10-2-4-14-7(11)9-5-8(12)1-3-13-6-8/h10,12H,1-6H2,(H,9,11)
InChIKeyXIVQXLNSJSKEOT-UHFFFAOYSA-N
XLogP-1.14
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-hydroxy-N-[(3-hydroxyoxolan-3-yl)methyl]pentanamide
CID 106103197
2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 106765719
2-hydroxyethyl N-[(1-hydroxy-4-methylcyclohexyl)methyl]carbamate
CID 79348734
2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 106101394
3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide
CID 106101303
N-[(3-hydroxyoxolan-3-yl)methyl]-3-propoxypropanamide
CID 106102852
3-[(2-hydroxyethylamino)methyl]oxolan-3-ol
CID 106100620
N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide
CID 103849517
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylsulfanylacetamide
CID 103848673
(2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpentanamide
CID 106101485
(2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide
CID 106101444
3-amino-3-cyclopropyl-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 106101542

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-[(3-hydroxyoxolan-3-yl)methyl]carbamate?
The IUPAC name of 2-hydroxyethyl N-[(3-hydroxyoxolan-3-yl)methyl]carbamate (CID 106103199) is 2-hydroxyethyl N-[(3-hydroxyoxolan-3-yl)methyl]carbamate.
What is the SMILES notation for 2-hydroxyethyl N-[(3-hydroxyoxolan-3-yl)methyl]carbamate?
The canonical SMILES for 2-hydroxyethyl N-[(3-hydroxyoxolan-3-yl)methyl]carbamate is O=C(NCC1(O)CCOC1)OCCO.
What is the InChIKey of 2-hydroxyethyl N-[(3-hydroxyoxolan-3-yl)methyl]carbamate?
The InChIKey is XIVQXLNSJSKEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5/c10-2-4-14-7(11)9-5-8(12)1-3-13-6-8/h10,12H,1-6H2,(H,9,11).
What are the key properties of 2-hydroxyethyl N-[(3-hydroxyoxolan-3-yl)methyl]carbamate?
2-hydroxyethyl N-[(3-hydroxyoxolan-3-yl)methyl]carbamate has a molecular weight of 205.21 g/mol, XLogP of -1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-[(3-hydroxyoxolan-3-yl)methyl]carbamate is sourced from PubChem (CID 106103199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).