(2S,3Z)-2-aminohexa-3,5-dienoic acid

C6H9NO2 — CID 11018881

IUPAC(2S,3Z)-2-aminohexa-3,5-dienoic acid
SMILESC=C/C=C\[C@H](N)C(=O)O
InChIInChI=1S/C6H9NO2/c1-2-3-4-5(7)6(8)9/h2-5H,1,7H2,(H,8,9)/b4-3-/t5-/m0/s1
InChIKeyLAVTULVXLBWEBX-XUELKZDXSA-N
MW127.14 g/mol
LogP0.14
Rot. Bonds3

About (2S,3Z)-2-aminohexa-3,5-dienoic acid

(2S,3Z)-2-aminohexa-3,5-dienoic acid (PubChem CID 11018881) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (2S,3Z)-2-aminohexa-3,5-dienoic acid.

Molecular Properties

Compound Name(2S,3Z)-2-aminohexa-3,5-dienoic acid
PubChem CID11018881
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(2S,3Z)-2-aminohexa-3,5-dienoic acid
SMILESC=C/C=C\[C@H](N)C(=O)O
InChIInChI=1S/C6H9NO2/c1-2-3-4-5(7)6(8)9/h2-5H,1,7H2,(H,8,9)/b4-3-/t5-/m0/s1
InChIKeyLAVTULVXLBWEBX-XUELKZDXSA-N
XLogP0.14
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.14
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

(3E)-2-methylhexa-3,5-dienoic acid
CID 22754992
(E)-2-amino-4-chlorobut-3-enoic acid
CID 130003035
(E,2R)-2-amino-5-phosphonopent-3-enoic acid
CID 14061809
(2S,5Z)-2-amino-4-methylideneocta-5,7-dienoic acid
CID 162530596
2-amino-4-ethylsulfonylbut-3-enoic acid
CID 90872903
(2R,4Z,5Z)-2-amino-4-ethylideneocta-5,7-dienoic acid
CID 146649344
(E,2R)-2-amino-7-phosphonohept-3-enoic acid
CID 88508783
(3E)-2-methylhexa-3,5-dienoate
CID 22754991
(E,2S)-2-aminooct-3-enoic acid
CID 134212552
CID 20576804
CID 20576804
2-amino-3-sulfonylpropanoic acid
CID 22381085
(2R)-2-amino-3-sulfinylpropanoic acid
CID 162721161

Frequently Asked Questions

What is the IUPAC name of (2S,3Z)-2-aminohexa-3,5-dienoic acid?
The IUPAC name of (2S,3Z)-2-aminohexa-3,5-dienoic acid (CID 11018881) is (2S,3Z)-2-aminohexa-3,5-dienoic acid.
What is the SMILES notation for (2S,3Z)-2-aminohexa-3,5-dienoic acid?
The canonical SMILES for (2S,3Z)-2-aminohexa-3,5-dienoic acid is C=C/C=C\[C@H](N)C(=O)O.
What is the InChIKey of (2S,3Z)-2-aminohexa-3,5-dienoic acid?
The InChIKey is LAVTULVXLBWEBX-XUELKZDXSA-N. The full InChI is InChI=1S/C6H9NO2/c1-2-3-4-5(7)6(8)9/h2-5H,1,7H2,(H,8,9)/b4-3-/t5-/m0/s1.
What are the key properties of (2S,3Z)-2-aminohexa-3,5-dienoic acid?
(2S,3Z)-2-aminohexa-3,5-dienoic acid has a molecular weight of 127.14 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3Z)-2-aminohexa-3,5-dienoic acid is sourced from PubChem (CID 11018881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).