(E)-4-(ethylamino)but-2-enoic acid

C6H11NO2 — CID 87647072

IUPAC(E)-4-(ethylamino)but-2-enoic acid
SMILESCCNC/C=C/C(=O)O
InChIInChI=1S/C6H11NO2/c1-2-7-5-3-4-6(8)9/h3-4,7H,2,5H2,1H3,(H,8,9)/b4-3+
InChIKeyAWMYRLRLYBWKQR-ONEGZZNKSA-N
MW129.16 g/mol
LogP0.24
Rot. Bonds4

About (E)-4-(ethylamino)but-2-enoic acid

(E)-4-(ethylamino)but-2-enoic acid (PubChem CID 87647072) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (E)-4-(ethylamino)but-2-enoic acid.

Molecular Properties

Compound Name(E)-4-(ethylamino)but-2-enoic acid
PubChem CID87647072
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(E)-4-(ethylamino)but-2-enoic acid
SMILESCCNC/C=C/C(=O)O
InChIInChI=1S/C6H11NO2/c1-2-7-5-3-4-6(8)9/h3-4,7H,2,5H2,1H3,(H,8,9)/b4-3+
InChIKeyAWMYRLRLYBWKQR-ONEGZZNKSA-N
XLogP0.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(ethylamino)-2-oxopent-3-enoic acid
CID 87184539
(Z)-4-(methylamino)but-2-enoic acid
CID 148708866
(E)-4-(3-methylbut-2-enylamino)but-2-enoic acid
CID 106190508
4-(prop-2-enylamino)but-2-enoic acid
CID 174638295
(E)-4-[(2-ethoxy-2-oxoethyl)amino]but-2-enoic acid
CID 103239568
(E)-pent-2-enoic acid
CID 638122
(E)-4-(2-chloroprop-2-enylamino)but-2-enoic acid
CID 103263935
(E)-4-(2-methylsulfinylpropylamino)but-2-enoic acid
CID 103265712
(E)-hex-2-enoic acid
CID 5282707
pent-2-enoic acid;hydrochloride
CID 156883966
4-(4-aminobutylamino)but-2-enoic acid
CID 91073878
(E)-4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]but-2-enoic acid
CID 103262659

Frequently Asked Questions

What is the IUPAC name of (E)-4-(ethylamino)but-2-enoic acid?
The IUPAC name of (E)-4-(ethylamino)but-2-enoic acid (CID 87647072) is (E)-4-(ethylamino)but-2-enoic acid.
What is the SMILES notation for (E)-4-(ethylamino)but-2-enoic acid?
The canonical SMILES for (E)-4-(ethylamino)but-2-enoic acid is CCNC/C=C/C(=O)O.
What is the InChIKey of (E)-4-(ethylamino)but-2-enoic acid?
The InChIKey is AWMYRLRLYBWKQR-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H11NO2/c1-2-7-5-3-4-6(8)9/h3-4,7H,2,5H2,1H3,(H,8,9)/b4-3+.
What are the key properties of (E)-4-(ethylamino)but-2-enoic acid?
(E)-4-(ethylamino)but-2-enoic acid has a molecular weight of 129.16 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(ethylamino)but-2-enoic acid is sourced from PubChem (CID 87647072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).