2-(1,3-dihydroxypropan-2-yloxy)ethyl N-tert-butylcarbamate

C10H21NO5 — CID 91060527

IUPAC2-(1,3-dihydroxypropan-2-yloxy)ethyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCCOC(CO)CO
InChIInChI=1S/C10H21NO5/c1-10(2,3)11-9(14)16-5-4-15-8(6-12)7-13/h8,12-13H,4-7H2,1-3H3,(H,11,14)
InChIKeyJJALQVKCBHPWPA-UHFFFAOYSA-N
MW235.28 g/mol
LogP-0.12
Rot. Bonds6

About 2-(1,3-dihydroxypropan-2-yloxy)ethyl N-tert-butylcarbamate

2-(1,3-dihydroxypropan-2-yloxy)ethyl N-tert-butylcarbamate (PubChem CID 91060527) has the molecular formula C10H21NO5 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-(1,3-dihydroxypropan-2-yloxy)ethyl N-tert-butylcarbamate.

Molecular Properties

Compound Name2-(1,3-dihydroxypropan-2-yloxy)ethyl N-tert-butylcarbamate
PubChem CID91060527
Molecular FormulaC10H21NO5
Molecular Weight235.28 g/mol
Exact Mass235.14
IUPAC Name2-(1,3-dihydroxypropan-2-yloxy)ethyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCCOC(CO)CO
InChIInChI=1S/C10H21NO5/c1-10(2,3)11-9(14)16-5-4-15-8(6-12)7-13/h8,12-13H,4-7H2,1-3H3,(H,11,14)
InChIKeyJJALQVKCBHPWPA-UHFFFAOYSA-N
XLogP-0.12
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(S)-(-)-tert-butyl 1-hydroxypropan-2-yl carbamate
CID 118237081
(4-fluoro-1-hydroxybutan-2-yl) N-tert-butylcarbamate
CID 175189297
propan-2-yl N-(1,3-dihydroxy-2-methylpropan-2-yl)carbamate
CID 81965123
Tert-butyl [2-(2-hydroxyethoxy)-1,1-dimethylethyl]carbamate
CID 86645524
2-(2-hydroxyethoxy)ethyl N-tert-butylcarbamate
CID 87194647
[(2S)-1-hydroxy-4-methoxy-4-methylpentan-2-yl] N-tert-butylcarbamate
CID 87303099
(1-hydroxy-4-methoxy-4-methylpentan-2-yl) N-tert-butylcarbamate
CID 87303100
tert-butyl N-(1,3-dihydroxy-2-methoxypropan-2-yl)carbamate
CID 88902282
2-hydroxypropyl N-tert-butylcarbamate
CID 90220528
[1-(2-hydroxyethoxy)-2-methylpropan-2-yl] N-tert-butylcarbamate
CID 90732491
2-(1,3-dimethoxypropan-2-yloxy)ethyl N-tert-butylcarbamate
CID 90750625
[(2R)-2,3-dihydroxypropyl] N-tert-butylcarbamate
CID 90801381

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroxypropan-2-yloxy)ethyl N-tert-butylcarbamate?
The IUPAC name of 2-(1,3-dihydroxypropan-2-yloxy)ethyl N-tert-butylcarbamate (CID 91060527) is 2-(1,3-dihydroxypropan-2-yloxy)ethyl N-tert-butylcarbamate.
What is the SMILES notation for 2-(1,3-dihydroxypropan-2-yloxy)ethyl N-tert-butylcarbamate?
The canonical SMILES for 2-(1,3-dihydroxypropan-2-yloxy)ethyl N-tert-butylcarbamate is CC(C)(C)NC(=O)OCCOC(CO)CO.
What is the InChIKey of 2-(1,3-dihydroxypropan-2-yloxy)ethyl N-tert-butylcarbamate?
The InChIKey is JJALQVKCBHPWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO5/c1-10(2,3)11-9(14)16-5-4-15-8(6-12)7-13/h8,12-13H,4-7H2,1-3H3,(H,11,14).
What are the key properties of 2-(1,3-dihydroxypropan-2-yloxy)ethyl N-tert-butylcarbamate?
2-(1,3-dihydroxypropan-2-yloxy)ethyl N-tert-butylcarbamate has a molecular weight of 235.28 g/mol, XLogP of -0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroxypropan-2-yloxy)ethyl N-tert-butylcarbamate is sourced from PubChem (CID 91060527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).