(2R,4Z,5Z)-2-amino-4-ethylideneocta-5,7-dienoic acid

C10H15NO2 — CID 146649344

IUPAC(2R,4Z,5Z)-2-amino-4-ethylideneocta-5,7-dienoic acid
SMILESC=C/C=C\C(=C/C)C[C@@H](N)C(=O)O
InChIInChI=1S/C10H15NO2/c1-3-5-6-8(4-2)7-9(11)10(12)13/h3-6,9H,1,7,11H2,2H3,(H,12,13)/b6-5-,8-4+/t9-/m1/s1
InChIKeySNRGXESSRZZCDI-XYKKWEGESA-N
MW181.23 g/mol
LogP1.48
Rot. Bonds5

About (2R,4Z,5Z)-2-amino-4-ethylideneocta-5,7-dienoic acid

(2R,4Z,5Z)-2-amino-4-ethylideneocta-5,7-dienoic acid (PubChem CID 146649344) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is (2R,4Z,5Z)-2-amino-4-ethylideneocta-5,7-dienoic acid.

Molecular Properties

Compound Name(2R,4Z,5Z)-2-amino-4-ethylideneocta-5,7-dienoic acid
PubChem CID146649344
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name(2R,4Z,5Z)-2-amino-4-ethylideneocta-5,7-dienoic acid
SMILESC=C/C=C\C(=C/C)C[C@@H](N)C(=O)O
InChIInChI=1S/C10H15NO2/c1-3-5-6-8(4-2)7-9(11)10(12)13/h3-6,9H,1,7,11H2,2H3,(H,12,13)/b6-5-,8-4+/t9-/m1/s1
InChIKeySNRGXESSRZZCDI-XYKKWEGESA-N
XLogP1.48
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-ethylidenehept-5-enoic acid
CID 123282783
(2S,5Z)-2-amino-4-methylideneocta-5,7-dienoic acid
CID 162530596
3-ethylidenehepta-4,6-dienoic acid
CID 90984138
(4Z,5Z)-4-ethylidene-2-methylocta-5,7-dienal
CID 143072769
(4E,6Z)-2-amino-4-methylnona-4,6,8-trienoic acid;bromomethane
CID 142823781
(Z)-2-amino-6-oxo-4-[(Z)-3-oxoprop-1-enyl]hept-4-enoic acid
CID 89241922
(4Z,6E)-2-amino-4-ethenyl-7-hydroxyocta-4,6-dienoic acid;ethane
CID 163388832
ethane;(4Z,5Z)-4-ethylidene-2-oxoocta-5,7-dienoic acid
CID 143265968
(3E,4Z)-2-(aminomethyl)-3-ethylidenehepta-4,6-dienoic acid
CID 143110029
ethane;(4Z,5Z)-4-ethylidene-2-[(2-methylpropan-2-yl)oxycarbonylamino]octa-5,7-dienoic acid
CID 143072662
(2S)-2-amino-4-methylhex-4-enoic acid
CID 70268414
(3E,4Z)-3-ethylidene-2-hydroxyhepta-4,6-dienoic acid
CID 142066465

Frequently Asked Questions

What is the IUPAC name of (2R,4Z,5Z)-2-amino-4-ethylideneocta-5,7-dienoic acid?
The IUPAC name of (2R,4Z,5Z)-2-amino-4-ethylideneocta-5,7-dienoic acid (CID 146649344) is (2R,4Z,5Z)-2-amino-4-ethylideneocta-5,7-dienoic acid.
What is the SMILES notation for (2R,4Z,5Z)-2-amino-4-ethylideneocta-5,7-dienoic acid?
The canonical SMILES for (2R,4Z,5Z)-2-amino-4-ethylideneocta-5,7-dienoic acid is C=C/C=C\C(=C/C)C[C@@H](N)C(=O)O.
What is the InChIKey of (2R,4Z,5Z)-2-amino-4-ethylideneocta-5,7-dienoic acid?
The InChIKey is SNRGXESSRZZCDI-XYKKWEGESA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-5-6-8(4-2)7-9(11)10(12)13/h3-6,9H,1,7,11H2,2H3,(H,12,13)/b6-5-,8-4+/t9-/m1/s1.
What are the key properties of (2R,4Z,5Z)-2-amino-4-ethylideneocta-5,7-dienoic acid?
(2R,4Z,5Z)-2-amino-4-ethylideneocta-5,7-dienoic acid has a molecular weight of 181.23 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4Z,5Z)-2-amino-4-ethylideneocta-5,7-dienoic acid is sourced from PubChem (CID 146649344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).