3-aminopentane-1,5-diol;tert-butyl N-(1,5-dihydroxypentan-3-yl)carbamate

C15H34N2O6 — CID 161209613

IUPAC3-aminopentane-1,5-diol;tert-butyl N-(1,5-dihydroxypentan-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(CCO)CCO.NC(CCO)CCO
InChIInChI=1S/C10H21NO4.C5H13NO2/c1-10(2,3)15-9(14)11-8(4-6-12)5-7-13;6-5(1-3-7)2-4-8/h8,12-13H,4-7H2,1-3H3,(H,11,14);5,7-8H,1-4,6H2
InChIKeyUWBGNQUKNRGAHP-UHFFFAOYSA-N
MW338.45 g/mol
LogP-0.28
Rot. Bonds9

About 3-aminopentane-1,5-diol;tert-butyl N-(1,5-dihydroxypentan-3-yl)carbamate

3-aminopentane-1,5-diol;tert-butyl N-(1,5-dihydroxypentan-3-yl)carbamate (PubChem CID 161209613) has the molecular formula C15H34N2O6 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-aminopentane-1,5-diol;tert-butyl N-(1,5-dihydroxypentan-3-yl)carbamate.

Molecular Properties

Compound Name3-aminopentane-1,5-diol;tert-butyl N-(1,5-dihydroxypentan-3-yl)carbamate
PubChem CID161209613
Molecular FormulaC15H34N2O6
Molecular Weight338.45 g/mol
Exact Mass338.24
IUPAC Name3-aminopentane-1,5-diol;tert-butyl N-(1,5-dihydroxypentan-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(CCO)CCO.NC(CCO)CCO
InChIInChI=1S/C10H21NO4.C5H13NO2/c1-10(2,3)15-9(14)11-8(4-6-12)5-7-13;6-5(1-3-7)2-4-8/h8,12-13H,4-7H2,1-3H3,(H,11,14);5,7-8H,1-4,6H2
InChIKeyUWBGNQUKNRGAHP-UHFFFAOYSA-N
XLogP-0.28
TPSA145.27 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 5-0.28
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl N-[(2S)-1-fluoro-4-hydroxybutan-2-yl]carbamate
CID 93002503
tert-butyl N-[(3S)-1-hydroxy-5-methylhexan-3-yl]carbamate
CID 87063359
tert-butyl N-[(2S)-4-hydroxy-1-methoxybutan-2-yl]carbamate
CID 53259998
tert-butyl N-(5-aminohexan-2-yl)carbamate
CID 145220242
tert-butyl N-[4-hydroxy-1-(methylamino)-1-oxobutan-2-yl]carbamate
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(2S)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 13066457
tert-butyl N-(7-hydroxyheptan-3-yl)carbamate
CID 142913941
tert-butyl N-[(2S)-4-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate
CID 169302219
tert-butyl N-(1-hydroxybutan-2-yl)carbamate
CID 15339785
tert-butyl N-[(3R)-2-amino-4-methylpentan-3-yl]carbamate
CID 83350039
tert-butyl N-[(2R)-4-amino-1-hydroxy-4-oxobutan-2-yl]carbamate
CID 51387393
tert-butyl N-decan-5-ylcarbamate
CID 174754300

Frequently Asked Questions

What is the IUPAC name of 3-aminopentane-1,5-diol;tert-butyl N-(1,5-dihydroxypentan-3-yl)carbamate?
The IUPAC name of 3-aminopentane-1,5-diol;tert-butyl N-(1,5-dihydroxypentan-3-yl)carbamate (CID 161209613) is 3-aminopentane-1,5-diol;tert-butyl N-(1,5-dihydroxypentan-3-yl)carbamate.
What is the SMILES notation for 3-aminopentane-1,5-diol;tert-butyl N-(1,5-dihydroxypentan-3-yl)carbamate?
The canonical SMILES for 3-aminopentane-1,5-diol;tert-butyl N-(1,5-dihydroxypentan-3-yl)carbamate is CC(C)(C)OC(=O)NC(CCO)CCO.NC(CCO)CCO.
What is the InChIKey of 3-aminopentane-1,5-diol;tert-butyl N-(1,5-dihydroxypentan-3-yl)carbamate?
The InChIKey is UWBGNQUKNRGAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4.C5H13NO2/c1-10(2,3)15-9(14)11-8(4-6-12)5-7-13;6-5(1-3-7)2-4-8/h8,12-13H,4-7H2,1-3H3,(H,11,14);5,7-8H,1-4,6H2.
What are the key properties of 3-aminopentane-1,5-diol;tert-butyl N-(1,5-dihydroxypentan-3-yl)carbamate?
3-aminopentane-1,5-diol;tert-butyl N-(1,5-dihydroxypentan-3-yl)carbamate has a molecular weight of 338.45 g/mol, XLogP of -0.28, 9 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopentane-1,5-diol;tert-butyl N-(1,5-dihydroxypentan-3-yl)carbamate is sourced from PubChem (CID 161209613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).