5-amino-4-(2-hydroxyethoxy)-4-methylpentanoic acid

C8H17NO4 — CID 165493841

IUPAC5-amino-4-(2-hydroxyethoxy)-4-methylpentanoic acid
SMILESCC(CN)(CCC(=O)O)OCCO
InChIInChI=1S/C8H17NO4/c1-8(6-9,13-5-4-10)3-2-7(11)12/h10H,2-6,9H2,1H3,(H,11,12)
InChIKeyLXZSYAYBXPVDDT-UHFFFAOYSA-N
MW191.23 g/mol
LogP-0.42
Rot. Bonds7

About 5-amino-4-(2-hydroxyethoxy)-4-methylpentanoic acid

5-amino-4-(2-hydroxyethoxy)-4-methylpentanoic acid (PubChem CID 165493841) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is 5-amino-4-(2-hydroxyethoxy)-4-methylpentanoic acid.

Molecular Properties

Compound Name5-amino-4-(2-hydroxyethoxy)-4-methylpentanoic acid
PubChem CID165493841
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Name5-amino-4-(2-hydroxyethoxy)-4-methylpentanoic acid
SMILESCC(CN)(CCC(=O)O)OCCO
InChIInChI=1S/C8H17NO4/c1-8(6-9,13-5-4-10)3-2-7(11)12/h10H,2-6,9H2,1H3,(H,11,12)
InChIKeyLXZSYAYBXPVDDT-UHFFFAOYSA-N
XLogP-0.42
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-4-methyl-4-sulfanylpentanoic acid
CID 21447959
acetic acid;2-(1,1-diaminoethoxy)ethanol
CID 173101574
4-(2-amino-2-methylpropoxy)-4-methylhexanoic acid
CID 88969016
4-(2-hydroxyethoxy)-4-methylpentanamide
CID 167307614
2-(2-hydroxyethoxy)-2-methylpropanamide
CID 173016422
3-(1-amino-2-methylnonan-2-yl)oxypropan-1-ol
CID 103377362
3-[3-(2-hydroxyethoxy)-3-methylbutoxy]-3-methylbutanoic acid
CID 166655528
5-(3-amino-2,2-dimethylpropoxy)-4,4-dimethylpentanoic acid
CID 169158624
4-amino-4-methylpentanoic acid
CID 158438218
4-[3-[(4-hydroxy-2-methylbutan-2-yl)amino]-3-methylbutoxy]-4-methylpentanoic acid
CID 129177449
azane;2-hydroxy-2-(2-hydroxyethoxy)propanoic acid
CID 175336069
2-(1,1,5,5-tetraamino-3-methylpentan-3-yl)oxyethanol
CID 174219039

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2-hydroxyethoxy)-4-methylpentanoic acid?
The IUPAC name of 5-amino-4-(2-hydroxyethoxy)-4-methylpentanoic acid (CID 165493841) is 5-amino-4-(2-hydroxyethoxy)-4-methylpentanoic acid.
What is the SMILES notation for 5-amino-4-(2-hydroxyethoxy)-4-methylpentanoic acid?
The canonical SMILES for 5-amino-4-(2-hydroxyethoxy)-4-methylpentanoic acid is CC(CN)(CCC(=O)O)OCCO.
What is the InChIKey of 5-amino-4-(2-hydroxyethoxy)-4-methylpentanoic acid?
The InChIKey is LXZSYAYBXPVDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4/c1-8(6-9,13-5-4-10)3-2-7(11)12/h10H,2-6,9H2,1H3,(H,11,12).
What are the key properties of 5-amino-4-(2-hydroxyethoxy)-4-methylpentanoic acid?
5-amino-4-(2-hydroxyethoxy)-4-methylpentanoic acid has a molecular weight of 191.23 g/mol, XLogP of -0.42, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2-hydroxyethoxy)-4-methylpentanoic acid is sourced from PubChem (CID 165493841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).