(Z)-2-amino-7-(1-aminoethylideneamino)-3,4-difluoro-2-methylhept-3-enoic acid

C10H17F2N3O2 — CID 59898074

IUPAC(Z)-2-amino-7-(1-aminoethylideneamino)-3,4-difluoro-2-methylhept-3-enoic acid
SMILESC/C(N)=N\CCC/C(F)=C(/F)C(C)(N)C(=O)O
InChIInChI=1S/C10H17F2N3O2/c1-6(13)15-5-3-4-7(11)8(12)10(2,14)9(16)17/h3-5,14H2,1-2H3,(H2,13,15)(H,16,17)/b8-7-
InChIKeyWWLSHOVEAHJGQT-FPLPWBNLSA-N
MW249.26 g/mol
LogP1.10
Rot. Bonds6

About (Z)-2-amino-7-(1-aminoethylideneamino)-3,4-difluoro-2-methylhept-3-enoic acid

(Z)-2-amino-7-(1-aminoethylideneamino)-3,4-difluoro-2-methylhept-3-enoic acid (PubChem CID 59898074) has the molecular formula C10H17F2N3O2 and a molecular weight of 249.26 g/mol. Its IUPAC name is (Z)-2-amino-7-(1-aminoethylideneamino)-3,4-difluoro-2-methylhept-3-enoic acid.

Molecular Properties

Compound Name(Z)-2-amino-7-(1-aminoethylideneamino)-3,4-difluoro-2-methylhept-3-enoic acid
PubChem CID59898074
Molecular FormulaC10H17F2N3O2
Molecular Weight249.26 g/mol
Exact Mass249.13
IUPAC Name(Z)-2-amino-7-(1-aminoethylideneamino)-3,4-difluoro-2-methylhept-3-enoic acid
SMILESC/C(N)=N\CCC/C(F)=C(/F)C(C)(N)C(=O)O
InChIInChI=1S/C10H17F2N3O2/c1-6(13)15-5-3-4-7(11)8(12)10(2,14)9(16)17/h3-5,14H2,1-2H3,(H2,13,15)(H,16,17)/b8-7-
InChIKeyWWLSHOVEAHJGQT-FPLPWBNLSA-N
XLogP1.10
TPSA101.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 51.10
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

(E)-2-amino-6-(1-aminoethylideneamino)-4-fluoro-2-methylhex-3-enoic acid
CID 9813213
(E)-2-amino-6-(1-aminoethylideneamino)-4,5-difluoro-2-methylhex-4-enoic acid
CID 9813430
(E,2S)-2-amino-7-(1-aminoethylideneamino)-4-fluoro-2-methylhept-4-enoic acid
CID 9814947
(Z)-2-amino-7-(1-aminoethylideneamino)-5-fluoro-2-methylhept-4-enoic acid
CID 9834538
(Z,2S)-2-amino-7-(1-aminoethylideneamino)-4-fluorohept-3-enoic acid
CID 9834860
(Z,2S)-2-amino-7-(1-aminoethylideneamino)-4-fluoro-2-methylhept-4-enoic acid
CID 9836071
(Z,2R)-2-amino-7-(1-aminoethylideneamino)-5,6-difluoro-2-methylhept-5-enoic acid
CID 9836832
(E,2S)-2-amino-6-(1-aminoethylideneamino)-4-fluoro-2-methylhex-3-enoic acid
CID 9838940
(Z)-2-amino-7-(1-aminoethylideneamino)-4-fluoro-2-methylhept-4-enoic acid
CID 9857617
(E,2S)-2-amino-7-(1-aminoethylideneamino)-5-fluoro-2-methylhept-4-enoic acid
CID 9857619
(Z,2S)-2-amino-7-(1-aminoethylideneamino)-5-(fluoromethyl)-2-methylhept-4-enoic acid
CID 9858161
(Z,2S)-2-amino-7-(1-aminoethylideneamino)-5,6-difluoro-2-methylhept-5-enoic acid
CID 9858319

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-7-(1-aminoethylideneamino)-3,4-difluoro-2-methylhept-3-enoic acid?
The IUPAC name of (Z)-2-amino-7-(1-aminoethylideneamino)-3,4-difluoro-2-methylhept-3-enoic acid (CID 59898074) is (Z)-2-amino-7-(1-aminoethylideneamino)-3,4-difluoro-2-methylhept-3-enoic acid.
What is the SMILES notation for (Z)-2-amino-7-(1-aminoethylideneamino)-3,4-difluoro-2-methylhept-3-enoic acid?
The canonical SMILES for (Z)-2-amino-7-(1-aminoethylideneamino)-3,4-difluoro-2-methylhept-3-enoic acid is C/C(N)=N\CCC/C(F)=C(/F)C(C)(N)C(=O)O.
What is the InChIKey of (Z)-2-amino-7-(1-aminoethylideneamino)-3,4-difluoro-2-methylhept-3-enoic acid?
The InChIKey is WWLSHOVEAHJGQT-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H17F2N3O2/c1-6(13)15-5-3-4-7(11)8(12)10(2,14)9(16)17/h3-5,14H2,1-2H3,(H2,13,15)(H,16,17)/b8-7-.
What are the key properties of (Z)-2-amino-7-(1-aminoethylideneamino)-3,4-difluoro-2-methylhept-3-enoic acid?
(Z)-2-amino-7-(1-aminoethylideneamino)-3,4-difluoro-2-methylhept-3-enoic acid has a molecular weight of 249.26 g/mol, XLogP of 1.10, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-7-(1-aminoethylideneamino)-3,4-difluoro-2-methylhept-3-enoic acid is sourced from PubChem (CID 59898074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).