3-[cycloheptyl(3-hydroxypropyl)amino]propanoic acid

C13H25NO3 — CID 82330129

IUPAC3-[cycloheptyl(3-hydroxypropyl)amino]propanoic acid
SMILESO=C(O)CCN(CCCO)C1CCCCCC1
InChIInChI=1S/C13H25NO3/c15-11-5-9-14(10-8-13(16)17)12-6-3-1-2-4-7-12/h12,15H,1-11H2,(H,16,17)
InChIKeyBPQKCJKJZMHEIF-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.87
Rot. Bonds7

About 3-[cycloheptyl(3-hydroxypropyl)amino]propanoic acid

3-[cycloheptyl(3-hydroxypropyl)amino]propanoic acid (PubChem CID 82330129) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-[cycloheptyl(3-hydroxypropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cycloheptyl(3-hydroxypropyl)amino]propanoic acid
PubChem CID82330129
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name3-[cycloheptyl(3-hydroxypropyl)amino]propanoic acid
SMILESO=C(O)CCN(CCCO)C1CCCCCC1
InChIInChI=1S/C13H25NO3/c15-11-5-9-14(10-8-13(16)17)12-6-3-1-2-4-7-12/h12,15H,1-11H2,(H,16,17)
InChIKeyBPQKCJKJZMHEIF-UHFFFAOYSA-N
XLogP1.87
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-carboxyethyl(cyclohexyl)amino]butanoic acid
CID 82330575
3-[cyclooctyl-[3-(dimethylamino)propyl]amino]propanoic acid
CID 82330378
3-[cycloheptyl(heptyl)amino]propanoic acid
CID 82328773
5-[cyclobutyl(2-hydroxyethyl)amino]pentanoic acid
CID 102863962
3-[3-[cyclohexyl(3-hydroxypropyl)amino]propylamino]propan-1-ol
CID 149151262
3-[cyclohexyl(3-phenylpropyl)amino]propanoic acid
CID 82329050
4-[cyclobutyl(3-hydroxypropyl)amino]butan-1-ol
CID 102848477
3-[cyclohexyl(3-methylbutyl)amino]propanoic acid
CID 82328845
3-[cyclohexyl(2-oxopropyl)amino]propanoic acid
CID 82329101
3-[cyanomethyl(cycloheptyl)amino]propanoic acid
CID 82328498
3-[cyclohexyl(prop-2-enyl)amino]propanoic acid
CID 82327969
6-[cyclobutyl(3-hydroxypropyl)amino]hexanehydrazide
CID 102873673

Frequently Asked Questions

What is the IUPAC name of 3-[cycloheptyl(3-hydroxypropyl)amino]propanoic acid?
The IUPAC name of 3-[cycloheptyl(3-hydroxypropyl)amino]propanoic acid (CID 82330129) is 3-[cycloheptyl(3-hydroxypropyl)amino]propanoic acid.
What is the SMILES notation for 3-[cycloheptyl(3-hydroxypropyl)amino]propanoic acid?
The canonical SMILES for 3-[cycloheptyl(3-hydroxypropyl)amino]propanoic acid is O=C(O)CCN(CCCO)C1CCCCCC1.
What is the InChIKey of 3-[cycloheptyl(3-hydroxypropyl)amino]propanoic acid?
The InChIKey is BPQKCJKJZMHEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c15-11-5-9-14(10-8-13(16)17)12-6-3-1-2-4-7-12/h12,15H,1-11H2,(H,16,17).
What are the key properties of 3-[cycloheptyl(3-hydroxypropyl)amino]propanoic acid?
3-[cycloheptyl(3-hydroxypropyl)amino]propanoic acid has a molecular weight of 243.35 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cycloheptyl(3-hydroxypropyl)amino]propanoic acid is sourced from PubChem (CID 82330129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).