(3R)-3-amino-4-ethylhexanoic acid

C8H17NO2 — CID 738110

IUPAC(3R)-3-amino-4-ethylhexanoic acid
SMILESCCC(CC)[C@H](N)CC(=O)O
InChIInChI=1S/C8H17NO2/c1-3-6(4-2)7(9)5-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m1/s1
InChIKeyHOPWNSZDCHOHRY-SSDOTTSWSA-N
MW159.23 g/mol
LogP1.22
Rot. Bonds5

About (3R)-3-amino-4-ethylhexanoic acid

(3R)-3-amino-4-ethylhexanoic acid (PubChem CID 738110) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (3R)-3-amino-4-ethylhexanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-4-ethylhexanoic acid
PubChem CID738110
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(3R)-3-amino-4-ethylhexanoic acid
SMILESCCC(CC)[C@H](N)CC(=O)O
InChIInChI=1S/C8H17NO2/c1-3-6(4-2)7(9)5-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m1/s1
InChIKeyHOPWNSZDCHOHRY-SSDOTTSWSA-N
XLogP1.22
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R)-3-amino-4-ethylhexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-amino-4-ethylhexanoic acid
CID 738112
3-amino-4-ethylhexanoic acid
CID 2733734
3-amino-5-ethyl-4-methylheptanoic acid
CID 11735605
3-amino-6-cyclopropyl-4-ethylhexanoic acid
CID 69268127
methyl (3R)-3-amino-4-ethylhexanoate
CID 104941142
3-amino-4,5-diethyl-6-methylheptanoic acid
CID 11321870
azane;3,4-diaminopentanoic acid
CID 173404371
3-(dihydroxymethyl)pentanoic acid
CID 87108659
3-amino-4-sulfanylpentanoic acid
CID 57282100
(3R,4R)-5-amino-3-ethyl-4-methylpentanoic acid
CID 163817933
3-amino-4,6,6-trimethylheptanoic acid
CID 83907086
3-amino-8-cyclopentyl-4-ethyl-6-methyloctanoic acid
CID 69267248

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-ethylhexanoic acid?
The IUPAC name of (3R)-3-amino-4-ethylhexanoic acid (CID 738110) is (3R)-3-amino-4-ethylhexanoic acid.
What is the SMILES notation for (3R)-3-amino-4-ethylhexanoic acid?
The canonical SMILES for (3R)-3-amino-4-ethylhexanoic acid is CCC(CC)[C@H](N)CC(=O)O.
What is the InChIKey of (3R)-3-amino-4-ethylhexanoic acid?
The InChIKey is HOPWNSZDCHOHRY-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H17NO2/c1-3-6(4-2)7(9)5-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m1/s1.
What are the key properties of (3R)-3-amino-4-ethylhexanoic acid?
(3R)-3-amino-4-ethylhexanoic acid has a molecular weight of 159.23 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-ethylhexanoic acid is sourced from PubChem (CID 738110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).