(Z,2S)-2-aminohex-4-enoic acid

C6H11NO2 — CID 91998876

IUPAC(Z,2S)-2-aminohex-4-enoic acid
SMILESC/C=C\C[C@H](N)C(=O)O
InChIInChI=1S/C6H11NO2/c1-2-3-4-5(7)6(8)9/h2-3,5H,4,7H2,1H3,(H,8,9)/b3-2-/t5-/m0/s1
InChIKeyOPOBBDXDRHKTJF-KQLGLEPJSA-N
MW129.16 g/mol
LogP0.36
Rot. Bonds3

About (Z,2S)-2-aminohex-4-enoic acid

(Z,2S)-2-aminohex-4-enoic acid (PubChem CID 91998876) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (Z,2S)-2-aminohex-4-enoic acid.

Molecular Properties

Compound Name(Z,2S)-2-aminohex-4-enoic acid
PubChem CID91998876
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(Z,2S)-2-aminohex-4-enoic acid
SMILESC/C=C\C[C@H](N)C(=O)O
InChIInChI=1S/C6H11NO2/c1-2-3-4-5(7)6(8)9/h2-3,5H,4,7H2,1H3,(H,8,9)/b3-2-/t5-/m0/s1
InChIKeyOPOBBDXDRHKTJF-KQLGLEPJSA-N
XLogP0.36
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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
2-aminohept-5-enoic acid
CID 54178727
(E,2S)-2-amino-6,6-dimethylhept-4-enoic acid
CID 58150151
(2S)-2-amino-5-methylsulfonylpent-4-enoic acid
CID 174239098
(Z,3S,8S)-3,8-diaminodec-5-ene-2,9-dione
CID 166997414
2-bromohex-4-enoic acid
CID 57026294
(E,2S,3R,4R)-2-amino-3-hydroxy-4-methyloct-6-enoic acid
CID 5282047
(E)-2,6-diamino-2-methylhept-3-enedioic acid
CID 22297949
2-amino-4-[(E)-but-2-enyl]sulfanylbutanoic acid
CID 60929267
(E)-2-amino-5-(diaminomethylideneamino)pent-4-enoic acid
CID 130144807
(5Z)-2-fluorohepta-1,5-dien-3-amine
CID 89153786

Frequently Asked Questions

What is the IUPAC name of (Z,2S)-2-aminohex-4-enoic acid?
The IUPAC name of (Z,2S)-2-aminohex-4-enoic acid (CID 91998876) is (Z,2S)-2-aminohex-4-enoic acid.
What is the SMILES notation for (Z,2S)-2-aminohex-4-enoic acid?
The canonical SMILES for (Z,2S)-2-aminohex-4-enoic acid is C/C=C\C[C@H](N)C(=O)O.
What is the InChIKey of (Z,2S)-2-aminohex-4-enoic acid?
The InChIKey is OPOBBDXDRHKTJF-KQLGLEPJSA-N. The full InChI is InChI=1S/C6H11NO2/c1-2-3-4-5(7)6(8)9/h2-3,5H,4,7H2,1H3,(H,8,9)/b3-2-/t5-/m0/s1.
What are the key properties of (Z,2S)-2-aminohex-4-enoic acid?
(Z,2S)-2-aminohex-4-enoic acid has a molecular weight of 129.16 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S)-2-aminohex-4-enoic acid is sourced from PubChem (CID 91998876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).