2-amino-4-ethyl-7-hydroxyheptanoic acid

C9H19NO3 — CID 123400393

IUPAC2-amino-4-ethyl-7-hydroxyheptanoic acid
SMILESCCC(CCCO)CC(N)C(=O)O
InChIInChI=1S/C9H19NO3/c1-2-7(4-3-5-11)6-8(10)9(12)13/h7-8,11H,2-6,10H2,1H3,(H,12,13)
InChIKeySIVGKFCXASDOGL-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.59
Rot. Bonds7

About 2-amino-4-ethyl-7-hydroxyheptanoic acid

2-amino-4-ethyl-7-hydroxyheptanoic acid (PubChem CID 123400393) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 2-amino-4-ethyl-7-hydroxyheptanoic acid.

Molecular Properties

Compound Name2-amino-4-ethyl-7-hydroxyheptanoic acid
PubChem CID123400393
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name2-amino-4-ethyl-7-hydroxyheptanoic acid
SMILESCCC(CCCO)CC(N)C(=O)O
InChIInChI=1S/C9H19NO3/c1-2-7(4-3-5-11)6-8(10)9(12)13/h7-8,11H,2-6,10H2,1H3,(H,12,13)
InChIKeySIVGKFCXASDOGL-UHFFFAOYSA-N
XLogP0.59
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-ethylhexane-1,6-diol
CID 118889856
2,6-diamino-4-ethyl-6-oxohexanoic acid
CID 87815600
3,6-diethylnonane-1,9-diol
CID 19787583
2-amino-4-ethyl-6,7-dioxooctanoic acid
CID 123366170
(2R)-2-amino-6-hydroxyhexanoic acid
CID 5288041
(2R)-2-amino-4-ethylpentanedioic acid
CID 57469863
8-ethyl-4-(2-hydroxyethyl)dodecane-1,12-diol
CID 170925289
acetic acid;2-ethylhexane-1,6-diol
CID 175223749
2-amino-3-(2-ethylhexylamino)propanoic acid
CID 107816719
(2S)-2-aminobutanedioic acid;bis(hexan-1-ol)
CID 87354643
(3S)-3-ethyloctane-1,8-diol
CID 118889766
6-ethyldecane-1,4-diol
CID 106677709

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-ethyl-7-hydroxyheptanoic acid?
The IUPAC name of 2-amino-4-ethyl-7-hydroxyheptanoic acid (CID 123400393) is 2-amino-4-ethyl-7-hydroxyheptanoic acid.
What is the SMILES notation for 2-amino-4-ethyl-7-hydroxyheptanoic acid?
The canonical SMILES for 2-amino-4-ethyl-7-hydroxyheptanoic acid is CCC(CCCO)CC(N)C(=O)O.
What is the InChIKey of 2-amino-4-ethyl-7-hydroxyheptanoic acid?
The InChIKey is SIVGKFCXASDOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-2-7(4-3-5-11)6-8(10)9(12)13/h7-8,11H,2-6,10H2,1H3,(H,12,13).
What are the key properties of 2-amino-4-ethyl-7-hydroxyheptanoic acid?
2-amino-4-ethyl-7-hydroxyheptanoic acid has a molecular weight of 189.25 g/mol, XLogP of 0.59, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-ethyl-7-hydroxyheptanoic acid is sourced from PubChem (CID 123400393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).