4-(1-aminoethylideneamino)-2-ethylbutanoic acid

C8H16N2O2 — CID 145476520

IUPAC4-(1-aminoethylideneamino)-2-ethylbutanoic acid
SMILESCCC(CC/N=C(\C)N)C(=O)O
InChIInChI=1S/C8H16N2O2/c1-3-7(8(11)12)4-5-10-6(2)9/h7H,3-5H2,1-2H3,(H2,9,10)(H,11,12)
InChIKeyFOVZEWSFTQVVOQ-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.86
Rot. Bonds5

About 4-(1-aminoethylideneamino)-2-ethylbutanoic acid

4-(1-aminoethylideneamino)-2-ethylbutanoic acid (PubChem CID 145476520) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 4-(1-aminoethylideneamino)-2-ethylbutanoic acid.

Molecular Properties

Compound Name4-(1-aminoethylideneamino)-2-ethylbutanoic acid
PubChem CID145476520
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name4-(1-aminoethylideneamino)-2-ethylbutanoic acid
SMILESCCC(CC/N=C(\C)N)C(=O)O
InChIInChI=1S/C8H16N2O2/c1-3-7(8(11)12)4-5-10-6(2)9/h7H,3-5H2,1-2H3,(H2,9,10)(H,11,12)
InChIKeyFOVZEWSFTQVVOQ-UHFFFAOYSA-N
XLogP0.86
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-(1-aminoethylideneamino)ethyl]-3-methylbutanedioic acid
CID 118362424
5-[(1-amino-2-phosphanylbutylidene)amino]-2-ethylpentanoic acid
CID 91314997
4-azido-2-ethylbutanoic acid
CID 131985963
5-amino-2-ethyl-4-methyl-5-oxopentanoic acid
CID 58612932
2-ethylpentanoic acid
CID 158993232
2-ethylpentanoic acid
CID 30020
(2R)-5-(1-aminoethylideneamino)-2-methylpentanoic acid
CID 90976628
6-(1-aminoethylideneamino)-2-methylhexanoic acid
CID 158122286
2-amino-5-(1-aminoethylideneamino)-3-(trifluoromethyl)pentanoic acid
CID 10130993
2-ethyloctanoic acid;hexakis(hexane)
CID 173225823
(2R)-2-ethyldodecanoic acid
CID 98093060
2-ethylhexanoic acid;hexadecane
CID 174408772

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethylideneamino)-2-ethylbutanoic acid?
The IUPAC name of 4-(1-aminoethylideneamino)-2-ethylbutanoic acid (CID 145476520) is 4-(1-aminoethylideneamino)-2-ethylbutanoic acid.
What is the SMILES notation for 4-(1-aminoethylideneamino)-2-ethylbutanoic acid?
The canonical SMILES for 4-(1-aminoethylideneamino)-2-ethylbutanoic acid is CCC(CC/N=C(\C)N)C(=O)O.
What is the InChIKey of 4-(1-aminoethylideneamino)-2-ethylbutanoic acid?
The InChIKey is FOVZEWSFTQVVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-3-7(8(11)12)4-5-10-6(2)9/h7H,3-5H2,1-2H3,(H2,9,10)(H,11,12).
What are the key properties of 4-(1-aminoethylideneamino)-2-ethylbutanoic acid?
4-(1-aminoethylideneamino)-2-ethylbutanoic acid has a molecular weight of 172.23 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethylideneamino)-2-ethylbutanoic acid is sourced from PubChem (CID 145476520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).