6-amino-2-(2-hydroxyethyl)hexanoic acid

C8H17NO3 — CID 104681384

IUPAC6-amino-2-(2-hydroxyethyl)hexanoic acid
SMILESNCCCCC(CCO)C(=O)O
InChIInChI=1S/C8H17NO3/c9-5-2-1-3-7(4-6-10)8(11)12/h7,10H,1-6,9H2,(H,11,12)
InChIKeySNCAHVGSOJFSRY-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.20
Rot. Bonds7

About 6-amino-2-(2-hydroxyethyl)hexanoic acid

6-amino-2-(2-hydroxyethyl)hexanoic acid (PubChem CID 104681384) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 6-amino-2-(2-hydroxyethyl)hexanoic acid.

Molecular Properties

Compound Name6-amino-2-(2-hydroxyethyl)hexanoic acid
PubChem CID104681384
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name6-amino-2-(2-hydroxyethyl)hexanoic acid
SMILESNCCCCC(CCO)C(=O)O
InChIInChI=1S/C8H17NO3/c9-5-2-1-3-7(4-6-10)8(11)12/h7,10H,1-6,9H2,(H,11,12)
InChIKeySNCAHVGSOJFSRY-UHFFFAOYSA-N
XLogP0.20
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-2-ethylhexanoic acid;azane
CID 88821488
(2R)-7-amino-2-(sulfanylmethyl)heptanoic acid
CID 71737799
2-(2-hydroxyethyl)tetradecanoic acid
CID 54117326
2-(2-hydroxyethyl)octadecanoic acid
CID 19915552
7-amino-2-[[(7-amino-2-carboxyheptyl)diselanyl]methyl]heptanoic acid;dihydrochloride
CID 66563347
6-amino-2-[3-(2-methoxyethoxy)propyl]hexanoic acid
CID 103416672
6-amino-2-[2-(trifluoromethylsulfanyl)ethyl]hexanoic acid
CID 116628344
2-(11-aminoundecyl)propanedioic acid
CID 87187189
2-(7-aminoheptyl)propanedioic acid
CID 90276909
potassium;(2S)-2,6-diaminohexanoic acid;hydride
CID 173031360
2-(4-aminobutyl)hex-4-ynoic acid
CID 104681385
5-amino-2-(4-aminobutyl)-4-oxohexanoic acid
CID 158959458

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(2-hydroxyethyl)hexanoic acid?
The IUPAC name of 6-amino-2-(2-hydroxyethyl)hexanoic acid (CID 104681384) is 6-amino-2-(2-hydroxyethyl)hexanoic acid.
What is the SMILES notation for 6-amino-2-(2-hydroxyethyl)hexanoic acid?
The canonical SMILES for 6-amino-2-(2-hydroxyethyl)hexanoic acid is NCCCCC(CCO)C(=O)O.
What is the InChIKey of 6-amino-2-(2-hydroxyethyl)hexanoic acid?
The InChIKey is SNCAHVGSOJFSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c9-5-2-1-3-7(4-6-10)8(11)12/h7,10H,1-6,9H2,(H,11,12).
What are the key properties of 6-amino-2-(2-hydroxyethyl)hexanoic acid?
6-amino-2-(2-hydroxyethyl)hexanoic acid has a molecular weight of 175.23 g/mol, XLogP of 0.20, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(2-hydroxyethyl)hexanoic acid is sourced from PubChem (CID 104681384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).