2-hydroxyethyl N-(3-hydroxy-4-methoxybutyl)carbamate

C8H17NO5 — CID 106248555

IUPAC2-hydroxyethyl N-(3-hydroxy-4-methoxybutyl)carbamate
SMILESCOCC(O)CCNC(=O)OCCO
InChIInChI=1S/C8H17NO5/c1-13-6-7(11)2-3-9-8(12)14-5-4-10/h7,10-11H,2-6H2,1H3,(H,9,12)
InChIKeyXIOBIIZFUFTIGM-UHFFFAOYSA-N
MW207.23 g/mol
LogP-0.90
Rot. Bonds7

About 2-hydroxyethyl N-(3-hydroxy-4-methoxybutyl)carbamate

2-hydroxyethyl N-(3-hydroxy-4-methoxybutyl)carbamate (PubChem CID 106248555) has the molecular formula C8H17NO5 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-hydroxyethyl N-(3-hydroxy-4-methoxybutyl)carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-(3-hydroxy-4-methoxybutyl)carbamate
PubChem CID106248555
Molecular FormulaC8H17NO5
Molecular Weight207.23 g/mol
Exact Mass207.11
IUPAC Name2-hydroxyethyl N-(3-hydroxy-4-methoxybutyl)carbamate
SMILESCOCC(O)CCNC(=O)OCCO
InChIInChI=1S/C8H17NO5/c1-13-6-7(11)2-3-9-8(12)14-5-4-10/h7,10-11H,2-6H2,1H3,(H,9,12)
InChIKeyXIOBIIZFUFTIGM-UHFFFAOYSA-N
XLogP-0.90
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxyethyl N-[2-(2-methoxyethoxy)ethyl]carbamate
CID 79348554
2-hydroxyethyl N-propylcarbamate
CID 15560805
4-hydroxy-N-(3-hydroxy-4-methoxybutyl)pentanamide
CID 106248553
2-hydroxyethyl N-(5-methylhexyl)carbamate
CID 115327389
N'-(cyanomethyl)-N-(3-hydroxy-4-methoxybutyl)oxamide
CID 106247858
(2S)-2-amino-N-(3-hydroxy-4-methoxybutyl)hexanamide
CID 103951121
4-amino-N-(3-hydroxy-4-methoxybutyl)-3-methoxybutanamide
CID 106247351
2-methoxyethyl N-[2-(2-methoxyethoxycarbonylamino)ethyl]carbamate
CID 118910846
N-(3-hydroxy-4-methoxybutyl)pentanamide
CID 103877026
2-(aminomethyl)-N-(3-hydroxy-4-methoxybutyl)-2-methylbutanamide
CID 106247571
2-hydroxyethyl N-(2-hydroxy-4-methylpentyl)carbamate
CID 107159468
2-cyclopropyl-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 103877567

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-(3-hydroxy-4-methoxybutyl)carbamate?
The IUPAC name of 2-hydroxyethyl N-(3-hydroxy-4-methoxybutyl)carbamate (CID 106248555) is 2-hydroxyethyl N-(3-hydroxy-4-methoxybutyl)carbamate.
What is the SMILES notation for 2-hydroxyethyl N-(3-hydroxy-4-methoxybutyl)carbamate?
The canonical SMILES for 2-hydroxyethyl N-(3-hydroxy-4-methoxybutyl)carbamate is COCC(O)CCNC(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl N-(3-hydroxy-4-methoxybutyl)carbamate?
The InChIKey is XIOBIIZFUFTIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO5/c1-13-6-7(11)2-3-9-8(12)14-5-4-10/h7,10-11H,2-6H2,1H3,(H,9,12).
What are the key properties of 2-hydroxyethyl N-(3-hydroxy-4-methoxybutyl)carbamate?
2-hydroxyethyl N-(3-hydroxy-4-methoxybutyl)carbamate has a molecular weight of 207.23 g/mol, XLogP of -0.90, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-(3-hydroxy-4-methoxybutyl)carbamate is sourced from PubChem (CID 106248555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).