6-amino-2-prop-2-enylhexanoic acid

C9H17NO2 — CID 87689279

IUPAC6-amino-2-prop-2-enylhexanoic acid
SMILESC=CCC(CCCCN)C(=O)O
InChIInChI=1S/C9H17NO2/c1-2-5-8(9(11)12)6-3-4-7-10/h2,8H,1,3-7,10H2,(H,11,12)
InChIKeyWZKIFJBPZBBBDO-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.39
Rot. Bonds7

About 6-amino-2-prop-2-enylhexanoic acid

6-amino-2-prop-2-enylhexanoic acid (PubChem CID 87689279) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 6-amino-2-prop-2-enylhexanoic acid.

Molecular Properties

Compound Name6-amino-2-prop-2-enylhexanoic acid
PubChem CID87689279
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name6-amino-2-prop-2-enylhexanoic acid
SMILESC=CCC(CCCCN)C(=O)O
InChIInChI=1S/C9H17NO2/c1-2-5-8(9(11)12)6-3-4-7-10/h2,8H,1,3-7,10H2,(H,11,12)
InChIKeyWZKIFJBPZBBBDO-UHFFFAOYSA-N
XLogP1.39
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.39
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

Acryloyl 6-aminocaproic Acid
CID 22633803
2,2-Bis(4-pentenyl)glycine
CID 87318887
9-Octadecenoic acid (9Z)-, compd. with 2-ethyl-1-hexanamine (1:1)
CID 6437463
3-(Aminomethyl)-5-methylhex-5-enoic acid
CID 25256213
(S)-5,6-Dehydro Pregabalin
CID 94842460
2-allyl-5-aminopentanoic Acid
CID 11205911
3-(Aminomethyl)-5-methyloct-7-enoic acid
CID 21888177
3-(Aminomethyl)-5-methylhept-6-enoic acid
CID 21888193
(E)-3-(aminomethyl)-5-methylnon-6-enoic acid
CID 21888215
(E)-3-(aminomethyl)-5-methyldec-7-enoic acid
CID 21888271
(E)-3-(aminomethyl)-5-methylnon-7-enoic acid
CID 21888349
(E)-3-(aminomethyl)-5-methyloct-6-enoic acid
CID 21888350

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-prop-2-enylhexanoic acid?
The IUPAC name of 6-amino-2-prop-2-enylhexanoic acid (CID 87689279) is 6-amino-2-prop-2-enylhexanoic acid.
What is the SMILES notation for 6-amino-2-prop-2-enylhexanoic acid?
The canonical SMILES for 6-amino-2-prop-2-enylhexanoic acid is C=CCC(CCCCN)C(=O)O.
What is the InChIKey of 6-amino-2-prop-2-enylhexanoic acid?
The InChIKey is WZKIFJBPZBBBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-5-8(9(11)12)6-3-4-7-10/h2,8H,1,3-7,10H2,(H,11,12).
What are the key properties of 6-amino-2-prop-2-enylhexanoic acid?
6-amino-2-prop-2-enylhexanoic acid has a molecular weight of 171.24 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-prop-2-enylhexanoic acid is sourced from PubChem (CID 87689279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).