2-[2-hydroxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexoxy]acetic acid

C13H25NO6 — CID 166869102

IUPAC2-[2-hydroxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexoxy]acetic acid
SMILESCC(C)(C)OC(=O)NCCCCC(O)COCC(=O)O
InChIInChI=1S/C13H25NO6/c1-13(2,3)20-12(18)14-7-5-4-6-10(15)8-19-9-11(16)17/h10,15H,4-9H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyUCXMJIMCGVBQPB-UHFFFAOYSA-N
MW291.34 g/mol
LogP1.14
Rot. Bonds9

About 2-[2-hydroxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexoxy]acetic acid

2-[2-hydroxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexoxy]acetic acid (PubChem CID 166869102) has the molecular formula C13H25NO6 and a molecular weight of 291.34 g/mol. Its IUPAC name is 2-[2-hydroxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexoxy]acetic acid.

Molecular Properties

Compound Name2-[2-hydroxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexoxy]acetic acid
PubChem CID166869102
Molecular FormulaC13H25NO6
Molecular Weight291.34 g/mol
Exact Mass291.17
IUPAC Name2-[2-hydroxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexoxy]acetic acid
SMILESCC(C)(C)OC(=O)NCCCCC(O)COCC(=O)O
InChIInChI=1S/C13H25NO6/c1-13(2,3)20-12(18)14-7-5-4-6-10(15)8-19-9-11(16)17/h10,15H,4-9H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyUCXMJIMCGVBQPB-UHFFFAOYSA-N
XLogP1.14
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 51.14
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

2-[2-[2-[2-[2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 166714881
2-[2-[2-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]propoxy]ethoxy]acetic acid
CID 166714895
(2S)-2-hydroxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 10586563
tert-butyl N-(5-hydroxyhexyl)carbamate
CID 130586251
tert-butyl N-[(4S)-4,5-dihydroxypentyl]carbamate
CID 89422751
tert-butyl N-[(4S)-4-hydroxyhexyl]carbamate
CID 101456179
tert-butyl N-(6-hydroxy-5-methylhexyl)carbamate
CID 10868138
(3S)-3-amino-7-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
CID 53486162
tert-butyl N-(6-methylheptyl)carbamate
CID 143166499
2-[2-[2-[3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]ethoxy]ethoxy]acetic acid
CID 166714903
6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-ylcarbamic acid
CID 141446573
(2S)-2-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 167971322

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexoxy]acetic acid?
The IUPAC name of 2-[2-hydroxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexoxy]acetic acid (CID 166869102) is 2-[2-hydroxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexoxy]acetic acid.
What is the SMILES notation for 2-[2-hydroxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexoxy]acetic acid?
The canonical SMILES for 2-[2-hydroxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexoxy]acetic acid is CC(C)(C)OC(=O)NCCCCC(O)COCC(=O)O.
What is the InChIKey of 2-[2-hydroxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexoxy]acetic acid?
The InChIKey is UCXMJIMCGVBQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO6/c1-13(2,3)20-12(18)14-7-5-4-6-10(15)8-19-9-11(16)17/h10,15H,4-9H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 2-[2-hydroxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexoxy]acetic acid?
2-[2-hydroxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexoxy]acetic acid has a molecular weight of 291.34 g/mol, XLogP of 1.14, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexoxy]acetic acid is sourced from PubChem (CID 166869102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).