(E)-2-amino-5-(diaminomethylideneamino)pent-4-enoic acid

C6H12N4O2 — CID 130144807

IUPAC(E)-2-amino-5-(diaminomethylideneamino)pent-4-enoic acid
SMILESNC(N)=N/C=C/CC(N)C(=O)O
InChIInChI=1S/C6H12N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h1,3-4H,2,7H2,(H,11,12)(H4,8,9,10)/b3-1+
InChIKeyFVSQXMGZDMFDEJ-HNQUOIGGSA-N
MW172.19 g/mol
LogP-1.42
Rot. Bonds4

About (E)-2-amino-5-(diaminomethylideneamino)pent-4-enoic acid

(E)-2-amino-5-(diaminomethylideneamino)pent-4-enoic acid (PubChem CID 130144807) has the molecular formula C6H12N4O2 and a molecular weight of 172.19 g/mol. Its IUPAC name is (E)-2-amino-5-(diaminomethylideneamino)pent-4-enoic acid.

Molecular Properties

Compound Name(E)-2-amino-5-(diaminomethylideneamino)pent-4-enoic acid
PubChem CID130144807
Molecular FormulaC6H12N4O2
Molecular Weight172.19 g/mol
Exact Mass172.10
IUPAC Name(E)-2-amino-5-(diaminomethylideneamino)pent-4-enoic acid
SMILESNC(N)=N/C=C/CC(N)C(=O)O
InChIInChI=1S/C6H12N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h1,3-4H,2,7H2,(H,11,12)(H4,8,9,10)/b3-1+
InChIKeyFVSQXMGZDMFDEJ-HNQUOIGGSA-N
XLogP-1.42
TPSA127.72 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 5-1.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2,7-diaminooct-4-enedioic acid
CID 90205978
(Z,2S)-2-amino-5-iodopent-4-enoic acid
CID 92531833
(Z,2S)-2-aminohex-4-enoic acid
CID 91998876
(E,2S)-2-amino-6,6-dimethylhept-4-enoic acid
CID 58150151
2-amino-5-(diaminomethylideneamino)pentanoic acid;formamide
CID 174953444
(2S)-2-amino-5-methylsulfonylpent-4-enoic acid
CID 174239098
(2S)-2-amino-4-(diaminomethylideneamino)butanoic acid
CID 11389551
(E)-2,6-diamino-2-methylhept-3-enedioic acid
CID 22297949
(Z,3S,8S)-3,8-diaminodec-5-ene-2,9-dione
CID 166997414
CID 141048538
CID 141048538
2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium
CID 86698939
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;methane
CID 146220305

Frequently Asked Questions

What is the IUPAC name of (E)-2-amino-5-(diaminomethylideneamino)pent-4-enoic acid?
The IUPAC name of (E)-2-amino-5-(diaminomethylideneamino)pent-4-enoic acid (CID 130144807) is (E)-2-amino-5-(diaminomethylideneamino)pent-4-enoic acid.
What is the SMILES notation for (E)-2-amino-5-(diaminomethylideneamino)pent-4-enoic acid?
The canonical SMILES for (E)-2-amino-5-(diaminomethylideneamino)pent-4-enoic acid is NC(N)=N/C=C/CC(N)C(=O)O.
What is the InChIKey of (E)-2-amino-5-(diaminomethylideneamino)pent-4-enoic acid?
The InChIKey is FVSQXMGZDMFDEJ-HNQUOIGGSA-N. The full InChI is InChI=1S/C6H12N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h1,3-4H,2,7H2,(H,11,12)(H4,8,9,10)/b3-1+.
What are the key properties of (E)-2-amino-5-(diaminomethylideneamino)pent-4-enoic acid?
(E)-2-amino-5-(diaminomethylideneamino)pent-4-enoic acid has a molecular weight of 172.19 g/mol, XLogP of -1.42, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-amino-5-(diaminomethylideneamino)pent-4-enoic acid is sourced from PubChem (CID 130144807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).