(Z)-3-amino-2-ethylbut-2-enoic acid

C6H11NO2 — CID 86738625

IUPAC(Z)-3-amino-2-ethylbut-2-enoic acid
SMILESCC/C(C(=O)O)=C(\C)N
InChIInChI=1S/C6H11NO2/c1-3-5(4(2)7)6(8)9/h3,7H2,1-2H3,(H,8,9)/b5-4-
InChIKeyUYPQCGHDGAGZHI-PLNGDYQASA-N
MW129.16 g/mol
LogP0.71
Rot. Bonds2

About (Z)-3-amino-2-ethylbut-2-enoic acid

(Z)-3-amino-2-ethylbut-2-enoic acid (PubChem CID 86738625) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (Z)-3-amino-2-ethylbut-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-amino-2-ethylbut-2-enoic acid
PubChem CID86738625
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(Z)-3-amino-2-ethylbut-2-enoic acid
SMILESCC/C(C(=O)O)=C(\C)N
InChIInChI=1S/C6H11NO2/c1-3-5(4(2)7)6(8)9/h3,7H2,1-2H3,(H,8,9)/b5-4-
InChIKeyUYPQCGHDGAGZHI-PLNGDYQASA-N
XLogP0.71
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-Amino-2-ethyl-4,4,4-trifluorobut-2-enoic acid
CID 53406004
(Z)-3-amino-2-ethyl-4,4,4-trifluorobut-2-enoic acid
CID 87831468
3-Amino-2-(1,1,1-trifluoropropan-2-yl)but-2-enoic acid
CID 149711509
3-Amino-2-(2,2,2-trifluoroethyl)but-2-enoic acid
CID 157895264
(E)-3-amino-2-ethyl-4,4,4-trifluorobut-2-enoic acid
CID 87831469
3-Amino-2-methylbut-2-enoic acid
CID 6713463
(Z)-2-ethyl-3-(methylamino)but-2-enoic acid
CID 17821121
2-(1-Aminopropylidene)propanedioic acid
CID 19800503
(Z)-3-amino-2-(2-methoxyethyl)but-2-enoic acid
CID 20160779
(Z)-3-amino-2-methylbut-2-enoic acid
CID 20205550
(Z)-3-amino-2-ethylpent-2-enoic acid
CID 21617580
(Z)-3-amino-2-methylpent-2-enoic acid
CID 21652641

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-2-ethylbut-2-enoic acid?
The IUPAC name of (Z)-3-amino-2-ethylbut-2-enoic acid (CID 86738625) is (Z)-3-amino-2-ethylbut-2-enoic acid.
What is the SMILES notation for (Z)-3-amino-2-ethylbut-2-enoic acid?
The canonical SMILES for (Z)-3-amino-2-ethylbut-2-enoic acid is CC/C(C(=O)O)=C(\C)N.
What is the InChIKey of (Z)-3-amino-2-ethylbut-2-enoic acid?
The InChIKey is UYPQCGHDGAGZHI-PLNGDYQASA-N. The full InChI is InChI=1S/C6H11NO2/c1-3-5(4(2)7)6(8)9/h3,7H2,1-2H3,(H,8,9)/b5-4-.
What are the key properties of (Z)-3-amino-2-ethylbut-2-enoic acid?
(Z)-3-amino-2-ethylbut-2-enoic acid has a molecular weight of 129.16 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-2-ethylbut-2-enoic acid is sourced from PubChem (CID 86738625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).