(Z)-2-[(2-aminoacetyl)amino]-4-ethenyl-N-(2-hydroxyethyl)hept-4-enamide

C13H23N3O3 — CID 118286966

IUPAC(Z)-2-[(2-aminoacetyl)amino]-4-ethenyl-N-(2-hydroxyethyl)hept-4-enamide
SMILESC=C/C(=C\CC)CC(NC(=O)CN)C(=O)NCCO
InChIInChI=1S/C13H23N3O3/c1-3-5-10(4-2)8-11(16-12(18)9-14)13(19)15-6-7-17/h4-5,11,17H,2-3,6-9,14H2,1H3,(H,15,19)(H,16,18)/b10-5+
InChIKeyPLALPCKUSPNDKX-BJMVGYQFSA-N
MW269.34 g/mol
LogP-0.55
Rot. Bonds9

About (Z)-2-[(2-aminoacetyl)amino]-4-ethenyl-N-(2-hydroxyethyl)hept-4-enamide

(Z)-2-[(2-aminoacetyl)amino]-4-ethenyl-N-(2-hydroxyethyl)hept-4-enamide (PubChem CID 118286966) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is (Z)-2-[(2-aminoacetyl)amino]-4-ethenyl-N-(2-hydroxyethyl)hept-4-enamide.

Molecular Properties

Compound Name(Z)-2-[(2-aminoacetyl)amino]-4-ethenyl-N-(2-hydroxyethyl)hept-4-enamide
PubChem CID118286966
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name(Z)-2-[(2-aminoacetyl)amino]-4-ethenyl-N-(2-hydroxyethyl)hept-4-enamide
SMILESC=C/C(=C\CC)CC(NC(=O)CN)C(=O)NCCO
InChIInChI=1S/C13H23N3O3/c1-3-5-10(4-2)8-11(16-12(18)9-14)13(19)15-6-7-17/h4-5,11,17H,2-3,6-9,14H2,1H3,(H,15,19)(H,16,18)/b10-5+
InChIKeyPLALPCKUSPNDKX-BJMVGYQFSA-N
XLogP-0.55
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[(2-aminoacetyl)amino]-4-ethenyl-N-(2-hydroxyethyl)hept-4-enamide?
The IUPAC name of (Z)-2-[(2-aminoacetyl)amino]-4-ethenyl-N-(2-hydroxyethyl)hept-4-enamide (CID 118286966) is (Z)-2-[(2-aminoacetyl)amino]-4-ethenyl-N-(2-hydroxyethyl)hept-4-enamide.
What is the SMILES notation for (Z)-2-[(2-aminoacetyl)amino]-4-ethenyl-N-(2-hydroxyethyl)hept-4-enamide?
The canonical SMILES for (Z)-2-[(2-aminoacetyl)amino]-4-ethenyl-N-(2-hydroxyethyl)hept-4-enamide is C=C/C(=C\CC)CC(NC(=O)CN)C(=O)NCCO.
What is the InChIKey of (Z)-2-[(2-aminoacetyl)amino]-4-ethenyl-N-(2-hydroxyethyl)hept-4-enamide?
The InChIKey is PLALPCKUSPNDKX-BJMVGYQFSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-3-5-10(4-2)8-11(16-12(18)9-14)13(19)15-6-7-17/h4-5,11,17H,2-3,6-9,14H2,1H3,(H,15,19)(H,16,18)/b10-5+.
What are the key properties of (Z)-2-[(2-aminoacetyl)amino]-4-ethenyl-N-(2-hydroxyethyl)hept-4-enamide?
(Z)-2-[(2-aminoacetyl)amino]-4-ethenyl-N-(2-hydroxyethyl)hept-4-enamide has a molecular weight of 269.34 g/mol, XLogP of -0.55, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(2-aminoacetyl)amino]-4-ethenyl-N-(2-hydroxyethyl)hept-4-enamide is sourced from PubChem (CID 118286966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).