(Z,2Z)-2-(1-aminoethylidene)pent-3-enoic acid

C7H11NO2 — CID 143178654

IUPAC(Z,2Z)-2-(1-aminoethylidene)pent-3-enoic acid
SMILESC/C=C\C(C(=O)O)=C(/C)N
InChIInChI=1S/C7H11NO2/c1-3-4-6(5(2)8)7(9)10/h3-4H,8H2,1-2H3,(H,9,10)/b4-3-,6-5-
InChIKeySNRUPFUAGOAFSK-OUPQRBNQSA-N
MW141.17 g/mol
LogP0.88
Rot. Bonds2

About (Z,2Z)-2-(1-aminoethylidene)pent-3-enoic acid

(Z,2Z)-2-(1-aminoethylidene)pent-3-enoic acid (PubChem CID 143178654) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (Z,2Z)-2-(1-aminoethylidene)pent-3-enoic acid.

Molecular Properties

Compound Name(Z,2Z)-2-(1-aminoethylidene)pent-3-enoic acid
PubChem CID143178654
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(Z,2Z)-2-(1-aminoethylidene)pent-3-enoic acid
SMILESC/C=C\C(C(=O)O)=C(/C)N
InChIInChI=1S/C7H11NO2/c1-3-4-6(5(2)8)7(9)10/h3-4H,8H2,1-2H3,(H,9,10)/b4-3-,6-5-
InChIKeySNRUPFUAGOAFSK-OUPQRBNQSA-N
XLogP0.88
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-3-carboxymuconic acid
CID 21969475
(E,2E)-2-(1-aminopropylidene)-3-fluorohex-3-enoic acid
CID 132264480
(2E,4Z)-2-[(Z)-1-amino-2-fluoroethenyl]-3-methylhexa-2,4-dienoic acid
CID 135190409
(2E)-3-amino-2-(1-fluoroethenyl)penta-2,4-dienoic acid
CID 144836160
(2Z)-3-amino-2-ethenyl-4-fluoropenta-2,4-dienoic acid
CID 145701136
(2Z,3Z)-2-(1-aminoethylidene)-5-fluoro-4-methylhexa-3,5-dienoic acid
CID 142866304
fluoro (2Z)-3-amino-2-[(Z)-prop-1-enyl]penta-2,4-dienoate
CID 144294545
(1Z,3E)-1-aminobuta-1,3-diene-1,2,4-tricarboxylic acid
CID 18699490
(Z)-3-amino-2-methylpent-2-enoic acid
CID 21652641
5-Aminocyclohexa-1,5-diene-1-carboxylic acid
CID 54350782
3-Amino-2-methylbenzene-4-ide-1-carboxylic acid;yttrium
CID 58165875
2-Hydrazinylcyclopenta-1,4-diene-1-carboxylic acid
CID 58190658

Frequently Asked Questions

What is the IUPAC name of (Z,2Z)-2-(1-aminoethylidene)pent-3-enoic acid?
The IUPAC name of (Z,2Z)-2-(1-aminoethylidene)pent-3-enoic acid (CID 143178654) is (Z,2Z)-2-(1-aminoethylidene)pent-3-enoic acid.
What is the SMILES notation for (Z,2Z)-2-(1-aminoethylidene)pent-3-enoic acid?
The canonical SMILES for (Z,2Z)-2-(1-aminoethylidene)pent-3-enoic acid is C/C=C\C(C(=O)O)=C(/C)N.
What is the InChIKey of (Z,2Z)-2-(1-aminoethylidene)pent-3-enoic acid?
The InChIKey is SNRUPFUAGOAFSK-OUPQRBNQSA-N. The full InChI is InChI=1S/C7H11NO2/c1-3-4-6(5(2)8)7(9)10/h3-4H,8H2,1-2H3,(H,9,10)/b4-3-,6-5-.
What are the key properties of (Z,2Z)-2-(1-aminoethylidene)pent-3-enoic acid?
(Z,2Z)-2-(1-aminoethylidene)pent-3-enoic acid has a molecular weight of 141.17 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2Z)-2-(1-aminoethylidene)pent-3-enoic acid is sourced from PubChem (CID 143178654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).