(3Z)-3-(aminomethylidene)-5-methylhexanoic acid

C8H15NO2 — CID 89122031

IUPAC(3Z)-3-(aminomethylidene)-5-methylhexanoic acid
SMILESCC(C)C/C(=C/N)CC(=O)O
InChIInChI=1S/C8H15NO2/c1-6(2)3-7(5-9)4-8(10)11/h5-6H,3-4,9H2,1-2H3,(H,10,11)/b7-5-
InChIKeyNRJYATFVEYRFQG-ALCCZGGFSA-N
MW157.21 g/mol
LogP1.35
Rot. Bonds4

About (3Z)-3-(aminomethylidene)-5-methylhexanoic acid

(3Z)-3-(aminomethylidene)-5-methylhexanoic acid (PubChem CID 89122031) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (3Z)-3-(aminomethylidene)-5-methylhexanoic acid.

Molecular Properties

Compound Name(3Z)-3-(aminomethylidene)-5-methylhexanoic acid
PubChem CID89122031
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(3Z)-3-(aminomethylidene)-5-methylhexanoic acid
SMILESCC(C)C/C(=C/N)CC(=O)O
InChIInChI=1S/C8H15NO2/c1-6(2)3-7(5-9)4-8(10)11/h5-6H,3-4,9H2,1-2H3,(H,10,11)/b7-5-
InChIKeyNRJYATFVEYRFQG-ALCCZGGFSA-N
XLogP1.35
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3-(aminomethyl)but-3-enoic acid
CID 173281825
hydrazine;3-methylbutanoic acid
CID 175217584
5-methyl-3-(2-methylpropyl)hex-2-enoic acid
CID 21434156
3-methylbutanoic acid
CID 20849036
argon;3-methylbutanoic acid
CID 158006921
CID 87948469
CID 87948469
3-methylbutanoic acid;prop-2-enamide
CID 146306740
4-ethylidene-2,6-dimethylheptane
CID 102206987
3-methylbutanamide
CID 87933309
4-amino-3-oxopentanoic acid
CID 134247354
5-methyl-3,7-dioxononanedioic acid
CID 23344572
3-[(E)-2-aminoethenyl]-5-methylhexanoic acid
CID 137422286

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(aminomethylidene)-5-methylhexanoic acid?
The IUPAC name of (3Z)-3-(aminomethylidene)-5-methylhexanoic acid (CID 89122031) is (3Z)-3-(aminomethylidene)-5-methylhexanoic acid.
What is the SMILES notation for (3Z)-3-(aminomethylidene)-5-methylhexanoic acid?
The canonical SMILES for (3Z)-3-(aminomethylidene)-5-methylhexanoic acid is CC(C)C/C(=C/N)CC(=O)O.
What is the InChIKey of (3Z)-3-(aminomethylidene)-5-methylhexanoic acid?
The InChIKey is NRJYATFVEYRFQG-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(2)3-7(5-9)4-8(10)11/h5-6H,3-4,9H2,1-2H3,(H,10,11)/b7-5-.
What are the key properties of (3Z)-3-(aminomethylidene)-5-methylhexanoic acid?
(3Z)-3-(aminomethylidene)-5-methylhexanoic acid has a molecular weight of 157.21 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(aminomethylidene)-5-methylhexanoic acid is sourced from PubChem (CID 89122031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).