5-amino-2-ethylpent-2-enoic acid

C7H13NO2 — CID 91086939

IUPAC5-amino-2-ethylpent-2-enoic acid
SMILESCCC(=CCCN)C(=O)O
InChIInChI=1S/C7H13NO2/c1-2-6(7(9)10)4-3-5-8/h4H,2-3,5,8H2,1H3,(H,9,10)
InChIKeyCXXZFYSVPISCOA-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.76
Rot. Bonds4

About 5-amino-2-ethylpent-2-enoic acid

5-amino-2-ethylpent-2-enoic acid (PubChem CID 91086939) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 5-amino-2-ethylpent-2-enoic acid.

Molecular Properties

Compound Name5-amino-2-ethylpent-2-enoic acid
PubChem CID91086939
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name5-amino-2-ethylpent-2-enoic acid
SMILESCCC(=CCCN)C(=O)O
InChIInChI=1S/C7H13NO2/c1-2-6(7(9)10)4-3-5-8/h4H,2-3,5,8H2,1H3,(H,9,10)
InChIKeyCXXZFYSVPISCOA-UHFFFAOYSA-N
XLogP0.76
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.76
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

5-bromo-2-ethylpent-2-enoic acid
CID 173418213
(2E)-2-ethyl-7-methylocta-2,6-dienoic acid
CID 88643510
2-ethoxyacetic acid;2-ethylhex-2-enoic acid
CID 173257029
(E)-2-ethylbut-2-enoic acid;hydrate
CID 162318068
(E)-4-methylhex-3-en-1-amine
CID 63969892
(E)-2-ethylhex-2-enamide
CID 87982228
ethyl dec-2-enoate;2-ethyldec-2-enoic acid
CID 173052455
2-ethyl-4-(methoxyamino)but-2-enoic acid
CID 103254318
2-ethyl-4-propan-2-yloxybut-2-enoic acid
CID 77100581
2-ethyl-4-[(2-methylpropan-2-yl)oxy]but-2-enoic acid
CID 77100608
2-ethyl-4-(oxiran-2-yl)but-2-enoic acid
CID 90914054
oxalic acid;bis(propan-1-amine)
CID 173398819

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-ethylpent-2-enoic acid?
The IUPAC name of 5-amino-2-ethylpent-2-enoic acid (CID 91086939) is 5-amino-2-ethylpent-2-enoic acid.
What is the SMILES notation for 5-amino-2-ethylpent-2-enoic acid?
The canonical SMILES for 5-amino-2-ethylpent-2-enoic acid is CCC(=CCCN)C(=O)O.
What is the InChIKey of 5-amino-2-ethylpent-2-enoic acid?
The InChIKey is CXXZFYSVPISCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-2-6(7(9)10)4-3-5-8/h4H,2-3,5,8H2,1H3,(H,9,10).
What are the key properties of 5-amino-2-ethylpent-2-enoic acid?
5-amino-2-ethylpent-2-enoic acid has a molecular weight of 143.19 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-ethylpent-2-enoic acid is sourced from PubChem (CID 91086939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).