2-[2-[2-[3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]ethoxy]ethoxy]acetic acid

C15H29NO8 — CID 166714903

IUPAC2-[2-[2-[3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]ethoxy]ethoxy]acetic acid
SMILESCC(C)(C)OC(=O)NCC(O)CCOCCOCCOCC(=O)O
InChIInChI=1S/C15H29NO8/c1-15(2,3)24-14(20)16-10-12(17)4-5-21-6-7-22-8-9-23-11-13(18)19/h12,17H,4-11H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyFGSUZWINJJNYDG-UHFFFAOYSA-N
MW351.40 g/mol
LogP0.40
Rot. Bonds13

About 2-[2-[2-[3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]ethoxy]ethoxy]acetic acid

2-[2-[2-[3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]ethoxy]ethoxy]acetic acid (PubChem CID 166714903) has the molecular formula C15H29NO8 and a molecular weight of 351.40 g/mol. Its IUPAC name is 2-[2-[2-[3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]ethoxy]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]ethoxy]ethoxy]acetic acid
PubChem CID166714903
Molecular FormulaC15H29NO8
Molecular Weight351.40 g/mol
Exact Mass351.19
IUPAC Name2-[2-[2-[3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]ethoxy]ethoxy]acetic acid
SMILESCC(C)(C)OC(=O)NCC(O)CCOCCOCCOCC(=O)O
InChIInChI=1S/C15H29NO8/c1-15(2,3)24-14(20)16-10-12(17)4-5-21-6-7-22-8-9-23-11-13(18)19/h12,17H,4-11H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyFGSUZWINJJNYDG-UHFFFAOYSA-N
XLogP0.40
TPSA123.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 11660330
ethane;2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]acetic acid
CID 142814707
2-[2-[2-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]propoxy]ethoxy]acetic acid
CID 166714895
tert-butyl N-(2-hydroxy-4-iodobutyl)carbamate
CID 91667088
tert-butyl N-(2-hydroxyhexyl)carbamate
CID 130004068
2-[2-hydroxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexoxy]acetic acid
CID 166869102
2-[2-[2-[2-(3-hydroxypentoxy)ethoxy]ethoxy]ethoxy]acetic acid
CID 163504653
tert-butyl N-[(2S)-2-hydroxybutyl]carbamate
CID 58718643
tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate
CID 10241638
2-[2-[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid
CID 87434108
(2R,5S)-2-azaniumyl-5-hydroxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 7408421

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]ethoxy]ethoxy]acetic acid?
The IUPAC name of 2-[2-[2-[3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]ethoxy]ethoxy]acetic acid (CID 166714903) is 2-[2-[2-[3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]ethoxy]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-[3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]ethoxy]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-[3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]ethoxy]ethoxy]acetic acid is CC(C)(C)OC(=O)NCC(O)CCOCCOCCOCC(=O)O.
What is the InChIKey of 2-[2-[2-[3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]ethoxy]ethoxy]acetic acid?
The InChIKey is FGSUZWINJJNYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO8/c1-15(2,3)24-14(20)16-10-12(17)4-5-21-6-7-22-8-9-23-11-13(18)19/h12,17H,4-11H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 2-[2-[2-[3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]ethoxy]ethoxy]acetic acid?
2-[2-[2-[3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]ethoxy]ethoxy]acetic acid has a molecular weight of 351.40 g/mol, XLogP of 0.40, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]ethoxy]ethoxy]acetic acid is sourced from PubChem (CID 166714903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).