2-(prop-2-enylamino)hexanoic acid

C9H17NO2 — CID 62352884

IUPAC2-(prop-2-enylamino)hexanoic acid
SMILESC=CCNC(CCCC)C(=O)O
InChIInChI=1S/C9H17NO2/c1-3-5-6-8(9(11)12)10-7-4-2/h4,8,10H,2-3,5-7H2,1H3,(H,11,12)
InChIKeyCPGIQZLCQUUDQF-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.41
Rot. Bonds7

About 2-(prop-2-enylamino)hexanoic acid

2-(prop-2-enylamino)hexanoic acid (PubChem CID 62352884) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(prop-2-enylamino)hexanoic acid.

Molecular Properties

Compound Name2-(prop-2-enylamino)hexanoic acid
PubChem CID62352884
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-(prop-2-enylamino)hexanoic acid
SMILESC=CCNC(CCCC)C(=O)O
InChIInChI=1S/C9H17NO2/c1-3-5-6-8(9(11)12)10-7-4-2/h4,8,10H,2-3,5-7H2,1H3,(H,11,12)
InChIKeyCPGIQZLCQUUDQF-UHFFFAOYSA-N
XLogP1.41
TPSA49.33 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 ≤ 51.41
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

N2-((1R)-1-Carboxyethyl)-L-lysine
CID 193187
L-Lysopine
CID 3325403
Nz-(1-Carboxyethyl)-Lysine
CID 17754073
Acrylamidohexanoic acid
CID 22476910
N(6)-(1-Carboxyethyl)Lysine
CID 23400779
Methyl 2-(prop-2-enylamino)hexanoate;2,2,2-trifluoroacetic acid
CID 145948160
Ethyl lysine
CID 54210468
1-Hydroxyhexanoylglycine
CID 87772907
Isopropyllysine
CID 18635690
N-(1-carboxyethyl)lysine
CID 21126042
7-(1-Carboxyethyl)lysine
CID 22283604
Crotonyllysine
CID 22838750

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enylamino)hexanoic acid?
The IUPAC name of 2-(prop-2-enylamino)hexanoic acid (CID 62352884) is 2-(prop-2-enylamino)hexanoic acid.
What is the SMILES notation for 2-(prop-2-enylamino)hexanoic acid?
The canonical SMILES for 2-(prop-2-enylamino)hexanoic acid is C=CCNC(CCCC)C(=O)O.
What is the InChIKey of 2-(prop-2-enylamino)hexanoic acid?
The InChIKey is CPGIQZLCQUUDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-5-6-8(9(11)12)10-7-4-2/h4,8,10H,2-3,5-7H2,1H3,(H,11,12).
What are the key properties of 2-(prop-2-enylamino)hexanoic acid?
2-(prop-2-enylamino)hexanoic acid has a molecular weight of 171.24 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enylamino)hexanoic acid is sourced from PubChem (CID 62352884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).