(2S)-2-(cinnamylideneamino)-5-(diaminomethylideneamino)pentanoic acid

C15H20N4O2 — CID 154205490

IUPAC(2S)-2-(cinnamylideneamino)-5-(diaminomethylideneamino)pentanoic acid
SMILESNC(N)=NCCC[C@H](/N=C/C=Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H20N4O2/c16-15(17)19-11-5-9-13(14(20)21)18-10-4-8-12-6-2-1-3-7-12/h1-4,6-8,10,13H,5,9,11H2,(H,20,21)(H4,16,17,19)/b8-4?,18-10+/t13-/m0/s1
InChIKeyNAJYDXSWMXFMJB-WTMZPWEXSA-N
MW288.35 g/mol
LogP1.28
Rot. Bonds8

About (2S)-2-(cinnamylideneamino)-5-(diaminomethylideneamino)pentanoic acid

(2S)-2-(cinnamylideneamino)-5-(diaminomethylideneamino)pentanoic acid (PubChem CID 154205490) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is (2S)-2-(cinnamylideneamino)-5-(diaminomethylideneamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-(cinnamylideneamino)-5-(diaminomethylideneamino)pentanoic acid
PubChem CID154205490
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name(2S)-2-(cinnamylideneamino)-5-(diaminomethylideneamino)pentanoic acid
SMILESNC(N)=NCCC[C@H](/N=C/C=Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H20N4O2/c16-15(17)19-11-5-9-13(14(20)21)18-10-4-8-12-6-2-1-3-7-12/h1-4,6-8,10,13H,5,9,11H2,(H,20,21)(H4,16,17,19)/b8-4?,18-10+/t13-/m0/s1
InChIKeyNAJYDXSWMXFMJB-WTMZPWEXSA-N
XLogP1.28
TPSA114.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-(diaminomethylideneamino)pentanoic acid;3-phenylprop-2-enal
CID 175582970
2-[[(Z)-3-phenylprop-2-enylidene]amino]pentanedioic acid
CID 122707294
(2S)-2-[(4-carbamimidoyl-2-hydroxyphenyl)methylideneamino]-5-(diaminomethylideneamino)pentanoic acid
CID 136898758
2-amino-5-(diaminomethylideneamino)pentanoic acid;(E)-3-(4-hydroxyphenyl)prop-2-enoic acid
CID 67565131
2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-4-phenylbutanoic acid
CID 138596629
(2S)-5-(diaminomethylideneamino)-2-(phenoxycarbonylamino)pentanoic acid
CID 146472259
(2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 14513775
5-(diaminomethylideneamino)-2-(naphthalen-2-ylamino)pentanoic acid
CID 174579623
5-(diaminomethylideneamino)-2-(3-phenylpropanoylamino)pentanoic acid
CID 142026144
[(E)-[(Z)-3-phenylprop-2-enylidene]amino]urea
CID 92529945
(2S)-2-(benzenesulfonamido)-5-(diaminomethylideneamino)pentanamide
CID 40548649
5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]pentanamide
CID 18357243

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cinnamylideneamino)-5-(diaminomethylideneamino)pentanoic acid?
The IUPAC name of (2S)-2-(cinnamylideneamino)-5-(diaminomethylideneamino)pentanoic acid (CID 154205490) is (2S)-2-(cinnamylideneamino)-5-(diaminomethylideneamino)pentanoic acid.
What is the SMILES notation for (2S)-2-(cinnamylideneamino)-5-(diaminomethylideneamino)pentanoic acid?
The canonical SMILES for (2S)-2-(cinnamylideneamino)-5-(diaminomethylideneamino)pentanoic acid is NC(N)=NCCC[C@H](/N=C/C=Cc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-(cinnamylideneamino)-5-(diaminomethylideneamino)pentanoic acid?
The InChIKey is NAJYDXSWMXFMJB-WTMZPWEXSA-N. The full InChI is InChI=1S/C15H20N4O2/c16-15(17)19-11-5-9-13(14(20)21)18-10-4-8-12-6-2-1-3-7-12/h1-4,6-8,10,13H,5,9,11H2,(H,20,21)(H4,16,17,19)/b8-4?,18-10+/t13-/m0/s1.
What are the key properties of (2S)-2-(cinnamylideneamino)-5-(diaminomethylideneamino)pentanoic acid?
(2S)-2-(cinnamylideneamino)-5-(diaminomethylideneamino)pentanoic acid has a molecular weight of 288.35 g/mol, XLogP of 1.28, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cinnamylideneamino)-5-(diaminomethylideneamino)pentanoic acid is sourced from PubChem (CID 154205490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).