(Z)-2-(1-aminoethylideneamino)pent-2-enoic acid

C7H12N2O2 — CID 139576680

IUPAC(Z)-2-(1-aminoethylideneamino)pent-2-enoic acid
SMILESCC/C=C(\N=C(/C)N)C(=O)O
InChIInChI=1S/C7H12N2O2/c1-3-4-6(7(10)11)9-5(2)8/h4H,3H2,1-2H3,(H2,8,9)(H,10,11)/b6-4-
InChIKeyYNHMIWSWMFOXPL-XQRVVYSFSA-N
MW156.18 g/mol
LogP0.74
Rot. Bonds3

About (Z)-2-(1-aminoethylideneamino)pent-2-enoic acid

(Z)-2-(1-aminoethylideneamino)pent-2-enoic acid (PubChem CID 139576680) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is (Z)-2-(1-aminoethylideneamino)pent-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-(1-aminoethylideneamino)pent-2-enoic acid
PubChem CID139576680
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name(Z)-2-(1-aminoethylideneamino)pent-2-enoic acid
SMILESCC/C=C(\N=C(/C)N)C(=O)O
InChIInChI=1S/C7H12N2O2/c1-3-4-6(7(10)11)9-5(2)8/h4H,3H2,1-2H3,(H2,8,9)(H,10,11)/b6-4-
InChIKeyYNHMIWSWMFOXPL-XQRVVYSFSA-N
XLogP0.74
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.74
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N'-[(E)-pent-2-en-2-yl]ethanimidamide
CID 123500479
(Z)-2-aminopent-2-enamide
CID 19089602
(E)-N-(diaminomethylidene)-2-methylpent-2-enamide
CID 90783206
(3E)-2-methylhexa-1,3-dien-3-amine
CID 130242711
CID 158703292
CID 158703292
2-methylpent-2-enamide
CID 66895957
2-hydroxypent-2-enoic acid
CID 20977155
2,4-dimethylhepta-2,4-dienamide
CID 90684610
N-(1-aminoethylidene)-2-methylbutanamide
CID 123142152
(2E,4E)-4-ethyl-2-methylhepta-2,4-dienoic acid
CID 11309745
3-(1-aminoethylideneamino)-3-oxopropanoic acid
CID 137434238
butyl (NZ)-N-(1-aminoethylidene)carbamate
CID 59984960

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(1-aminoethylideneamino)pent-2-enoic acid?
The IUPAC name of (Z)-2-(1-aminoethylideneamino)pent-2-enoic acid (CID 139576680) is (Z)-2-(1-aminoethylideneamino)pent-2-enoic acid.
What is the SMILES notation for (Z)-2-(1-aminoethylideneamino)pent-2-enoic acid?
The canonical SMILES for (Z)-2-(1-aminoethylideneamino)pent-2-enoic acid is CC/C=C(\N=C(/C)N)C(=O)O.
What is the InChIKey of (Z)-2-(1-aminoethylideneamino)pent-2-enoic acid?
The InChIKey is YNHMIWSWMFOXPL-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-3-4-6(7(10)11)9-5(2)8/h4H,3H2,1-2H3,(H2,8,9)(H,10,11)/b6-4-.
What are the key properties of (Z)-2-(1-aminoethylideneamino)pent-2-enoic acid?
(Z)-2-(1-aminoethylideneamino)pent-2-enoic acid has a molecular weight of 156.18 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(1-aminoethylideneamino)pent-2-enoic acid is sourced from PubChem (CID 139576680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).