(E,5S)-5-aminohex-2-enoic acid

C6H11NO2 — CID 55284274

IUPAC(E,5S)-5-aminohex-2-enoic acid
SMILESC[C@H](N)C/C=C/C(=O)O
InChIInChI=1S/C6H11NO2/c1-5(7)3-2-4-6(8)9/h2,4-5H,3,7H2,1H3,(H,8,9)/b4-2+/t5-/m0/s1
InChIKeyIDJLEPZZSIFZGI-FYTLMZHYSA-N
MW129.16 g/mol
LogP0.36
Rot. Bonds3

About (E,5S)-5-aminohex-2-enoic acid

(E,5S)-5-aminohex-2-enoic acid (PubChem CID 55284274) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (E,5S)-5-aminohex-2-enoic acid.

Molecular Properties

Compound Name(E,5S)-5-aminohex-2-enoic acid
PubChem CID55284274
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(E,5S)-5-aminohex-2-enoic acid
SMILESC[C@H](N)C/C=C/C(=O)O
InChIInChI=1S/C6H11NO2/c1-5(7)3-2-4-6(8)9/h2,4-5H,3,7H2,1H3,(H,8,9)/b4-2+/t5-/m0/s1
InChIKeyIDJLEPZZSIFZGI-FYTLMZHYSA-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-6-methoxy-5-methyl-6-oxohex-2-enoic acid
CID 14931059
5,6,7-trimethyloct-2-enoic acid
CID 173271852
(5S)-5,6-dihydroxyhex-2-enoic acid
CID 56608082
hepta-2,5-dienedioic acid
CID 74058962
(Z)-5-methylundec-2-enoic acid
CID 155211364
(E)-pent-2-enoic acid
CID 638122
5-ethylhepta-2,6-dienoic acid
CID 91381848
1-aminoethanol;(E)-but-2-enoic acid
CID 87299473
(E,4S)-4-aminopent-2-enoic acid;hydrochloride
CID 87478864
(5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoic acid
CID 71354514
(E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoic acid
CID 11149233
pent-2-enoic acid;hydrochloride
CID 156883966

Frequently Asked Questions

What is the IUPAC name of (E,5S)-5-aminohex-2-enoic acid?
The IUPAC name of (E,5S)-5-aminohex-2-enoic acid (CID 55284274) is (E,5S)-5-aminohex-2-enoic acid.
What is the SMILES notation for (E,5S)-5-aminohex-2-enoic acid?
The canonical SMILES for (E,5S)-5-aminohex-2-enoic acid is C[C@H](N)C/C=C/C(=O)O.
What is the InChIKey of (E,5S)-5-aminohex-2-enoic acid?
The InChIKey is IDJLEPZZSIFZGI-FYTLMZHYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-5(7)3-2-4-6(8)9/h2,4-5H,3,7H2,1H3,(H,8,9)/b4-2+/t5-/m0/s1.
What are the key properties of (E,5S)-5-aminohex-2-enoic acid?
(E,5S)-5-aminohex-2-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 (E,5S)-5-aminohex-2-enoic acid is sourced from PubChem (CID 55284274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).