2-amino-2-pent-4-enylhept-6-enoic acid

C12H21NO2 — CID 87318887

IUPAC2-amino-2-pent-4-enylhept-6-enoic acid
SMILESC=CCCCC(N)(CCCC=C)C(=O)O
InChIInChI=1S/C12H21NO2/c1-3-5-7-9-12(13,11(14)15)10-8-6-4-2/h3-4H,1-2,5-10,13H2,(H,14,15)
InChIKeyGLCYDOIDTTZFGD-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.48
Rot. Bonds9

About 2-amino-2-pent-4-enylhept-6-enoic acid

2-amino-2-pent-4-enylhept-6-enoic acid (PubChem CID 87318887) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-amino-2-pent-4-enylhept-6-enoic acid.

Molecular Properties

Compound Name2-amino-2-pent-4-enylhept-6-enoic acid
PubChem CID87318887
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-amino-2-pent-4-enylhept-6-enoic acid
SMILESC=CCCCC(N)(CCCC=C)C(=O)O
InChIInChI=1S/C12H21NO2/c1-3-5-7-9-12(13,11(14)15)10-8-6-4-2/h3-4H,1-2,5-10,13H2,(H,14,15)
InChIKeyGLCYDOIDTTZFGD-UHFFFAOYSA-N
XLogP2.48
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-2-methyldec-9-enoic acid;(2R)-2-amino-2-methyldec-9-enoic acid;(2S)-2-amino-2-methylhept-6-enoic acid;(2R)-2-amino-2-methylhept-6-enoic acid;2-amino-2-pent-4-enylhept-6-enoic acid;methane
CID 167617525
2-amino-2-ethenylnon-8-enoic acid
CID 156562405
2-amino-2-methyldec-9-enoic acid
CID 76833646
2-bromo-2-methylhept-6-enoic acid
CID 14195750
(2R)-2-amino-6-borono-2-prop-2-enylhexanoic acid
CID 54588730
(2R)-2-amino-2-propylpent-4-enoic acid
CID 102284688
2-amino-2-octadecylicosanoic acid
CID 18935913
2-bromo-2-methyltetradec-13-enoic acid
CID 87350164
(11Z,14Z)-2-amino-2-[(9Z,12Z)-octadeca-9,12-dienyl]icosa-11,14-dienoic acid
CID 146620095
(2S)-2-methyl-2-(methylamino)oct-7-enoic acid
CID 163656905
2-amino-2-[2-[hydroxy(methyl)phosphoryl]ethyl]pent-4-enoic acid
CID 88769968
(2R)-2-amino-2-(2-methylsulfanylethyl)pent-4-enoic acid
CID 134989261

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-pent-4-enylhept-6-enoic acid?
The IUPAC name of 2-amino-2-pent-4-enylhept-6-enoic acid (CID 87318887) is 2-amino-2-pent-4-enylhept-6-enoic acid.
What is the SMILES notation for 2-amino-2-pent-4-enylhept-6-enoic acid?
The canonical SMILES for 2-amino-2-pent-4-enylhept-6-enoic acid is C=CCCCC(N)(CCCC=C)C(=O)O.
What is the InChIKey of 2-amino-2-pent-4-enylhept-6-enoic acid?
The InChIKey is GLCYDOIDTTZFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-3-5-7-9-12(13,11(14)15)10-8-6-4-2/h3-4H,1-2,5-10,13H2,(H,14,15).
What are the key properties of 2-amino-2-pent-4-enylhept-6-enoic acid?
2-amino-2-pent-4-enylhept-6-enoic acid has a molecular weight of 211.30 g/mol, XLogP of 2.48, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-pent-4-enylhept-6-enoic acid is sourced from PubChem (CID 87318887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).