2-aminohept-5-enoic acid

C7H13NO2 — CID 54178727

IUPAC2-aminohept-5-enoic acid
SMILESCC=CCCC(N)C(=O)O
InChIInChI=1S/C7H13NO2/c1-2-3-4-5-6(8)7(9)10/h2-3,6H,4-5,8H2,1H3,(H,9,10)
InChIKeyPAGXFZPVIMEVBG-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.75
Rot. Bonds4

About 2-aminohept-5-enoic acid

2-aminohept-5-enoic acid (PubChem CID 54178727) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-aminohept-5-enoic acid.

Molecular Properties

Compound Name2-aminohept-5-enoic acid
PubChem CID54178727
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2-aminohept-5-enoic acid
SMILESCC=CCCC(N)C(=O)O
InChIInChI=1S/C7H13NO2/c1-2-3-4-5-6(8)7(9)10/h2-3,6H,4-5,8H2,1H3,(H,9,10)
InChIKeyPAGXFZPVIMEVBG-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
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,2S)-2-aminohex-4-enoic acid
CID 91998876
(E,2R)-2-methylhept-5-enoic acid
CID 100977914
(E,2S)-2-amino-7-(dimethylamino)-7-oxohept-5-enoic acid
CID 146349443
2-amino-4-[(E)-but-2-enyl]sulfanylbutanoic acid
CID 60929267
(E,2S)-2-amino-7-methoxy-7-oxohept-5-enoic acid
CID 146012830
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
2-aminoicosa-5,8,11,14-tetraenoic acid
CID 91406143
(2S,5E)-2-amino-5-hydroxyiminopentanoic acid
CID 53245664
(6E,10E)-2,3-dimethyldodeca-6,10-dienoic acid
CID 87710924
(2S)-2,5-diamino-5-oxopentanoic acid;2-methylbut-2-ene;hydrochloride
CID 159202405
(2R)-2-amino(311C)pentanoic acid
CID 55291456
(2R)-2-(15N)azanyl(313C)pentanoic acid
CID 157463358

Frequently Asked Questions

What is the IUPAC name of 2-aminohept-5-enoic acid?
The IUPAC name of 2-aminohept-5-enoic acid (CID 54178727) is 2-aminohept-5-enoic acid.
What is the SMILES notation for 2-aminohept-5-enoic acid?
The canonical SMILES for 2-aminohept-5-enoic acid is CC=CCCC(N)C(=O)O.
What is the InChIKey of 2-aminohept-5-enoic acid?
The InChIKey is PAGXFZPVIMEVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-2-3-4-5-6(8)7(9)10/h2-3,6H,4-5,8H2,1H3,(H,9,10).
What are the key properties of 2-aminohept-5-enoic acid?
2-aminohept-5-enoic acid has a molecular weight of 143.19 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminohept-5-enoic acid is sourced from PubChem (CID 54178727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).