3-amino-6-cyclopropyl-4-ethylhexanoic acid

C11H21NO2 — CID 69268127

IUPAC3-amino-6-cyclopropyl-4-ethylhexanoic acid
SMILESCCC(CCC1CC1)C(N)CC(=O)O
InChIInChI=1S/C11H21NO2/c1-2-9(6-5-8-3-4-8)10(12)7-11(13)14/h8-10H,2-7,12H2,1H3,(H,13,14)
InChIKeyNVUJHYUUFLKINE-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.00
Rot. Bonds7

About 3-amino-6-cyclopropyl-4-ethylhexanoic acid

3-amino-6-cyclopropyl-4-ethylhexanoic acid (PubChem CID 69268127) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-amino-6-cyclopropyl-4-ethylhexanoic acid.

Molecular Properties

Compound Name3-amino-6-cyclopropyl-4-ethylhexanoic acid
PubChem CID69268127
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-amino-6-cyclopropyl-4-ethylhexanoic acid
SMILESCCC(CCC1CC1)C(N)CC(=O)O
InChIInChI=1S/C11H21NO2/c1-2-9(6-5-8-3-4-8)10(12)7-11(13)14/h8-10H,2-7,12H2,1H3,(H,13,14)
InChIKeyNVUJHYUUFLKINE-UHFFFAOYSA-N
XLogP2.00
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-cyclopropyl-4-ethylhexanoic acid?
The IUPAC name of 3-amino-6-cyclopropyl-4-ethylhexanoic acid (CID 69268127) is 3-amino-6-cyclopropyl-4-ethylhexanoic acid.
What is the SMILES notation for 3-amino-6-cyclopropyl-4-ethylhexanoic acid?
The canonical SMILES for 3-amino-6-cyclopropyl-4-ethylhexanoic acid is CCC(CCC1CC1)C(N)CC(=O)O.
What is the InChIKey of 3-amino-6-cyclopropyl-4-ethylhexanoic acid?
The InChIKey is NVUJHYUUFLKINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-2-9(6-5-8-3-4-8)10(12)7-11(13)14/h8-10H,2-7,12H2,1H3,(H,13,14).
What are the key properties of 3-amino-6-cyclopropyl-4-ethylhexanoic acid?
3-amino-6-cyclopropyl-4-ethylhexanoic acid has a molecular weight of 199.29 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-cyclopropyl-4-ethylhexanoic acid is sourced from PubChem (CID 69268127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).