3-[3-carboxypropyl(cycloheptyl)amino]-2-methylpropanoic acid

C15H27NO4 — CID 82330624

IUPAC3-[3-carboxypropyl(cycloheptyl)amino]-2-methylpropanoic acid
SMILESCC(CN(CCCC(=O)O)C1CCCCCC1)C(=O)O
InChIInChI=1S/C15H27NO4/c1-12(15(19)20)11-16(10-6-9-14(17)18)13-7-4-2-3-5-8-13/h12-13H,2-11H2,1H3,(H,17,18)(H,19,20)
InChIKeyYILKMIYWWMWUAS-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.60
Rot. Bonds8

About 3-[3-carboxypropyl(cycloheptyl)amino]-2-methylpropanoic acid

3-[3-carboxypropyl(cycloheptyl)amino]-2-methylpropanoic acid (PubChem CID 82330624) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 3-[3-carboxypropyl(cycloheptyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[3-carboxypropyl(cycloheptyl)amino]-2-methylpropanoic acid
PubChem CID82330624
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name3-[3-carboxypropyl(cycloheptyl)amino]-2-methylpropanoic acid
SMILESCC(CN(CCCC(=O)O)C1CCCCCC1)C(=O)O
InChIInChI=1S/C15H27NO4/c1-12(15(19)20)11-16(10-6-9-14(17)18)13-7-4-2-3-5-8-13/h12-13H,2-11H2,1H3,(H,17,18)(H,19,20)
InChIKeyYILKMIYWWMWUAS-UHFFFAOYSA-N
XLogP2.60
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-carboxyethyl(cyclohexyl)amino]-2-methylpropanoic acid
CID 82329250
3-[cycloheptyl(hexyl)amino]-2-methylpropanoic acid
CID 82328405
3-[cycloheptyl(2-hydroxyethyl)amino]-2-methylpropanoic acid
CID 82329620
4-[2-carboxyethyl(cyclohexyl)amino]butanoic acid
CID 82330575
3-[cyclohexyl(3-methylbutyl)amino]propanoic acid
CID 82328845
3-[carboxymethyl(cyclopropyl)amino]-2-methylpropanoic acid
CID 82327511
3-[cyclopentyl(2-morpholin-4-ylethyl)amino]-2-methylpropanoic acid
CID 82330480
3-[cyclooctyl-[3-(dimethylamino)propyl]amino]propanoic acid
CID 82330378
3-[cycloheptyl(3-hydroxypropyl)amino]propanoic acid
CID 82330129
3-[cycloheptyl(heptyl)amino]propanoic acid
CID 82328773
3-[2-carboxyethyl(3-carboxypropyl)amino]-2-methylpropanoic acid
CID 82330638
N-cyclohexyl-N-methylcyclohexanamine;hexanedioic acid
CID 70625667

Frequently Asked Questions

What is the IUPAC name of 3-[3-carboxypropyl(cycloheptyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[3-carboxypropyl(cycloheptyl)amino]-2-methylpropanoic acid (CID 82330624) is 3-[3-carboxypropyl(cycloheptyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[3-carboxypropyl(cycloheptyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[3-carboxypropyl(cycloheptyl)amino]-2-methylpropanoic acid is CC(CN(CCCC(=O)O)C1CCCCCC1)C(=O)O.
What is the InChIKey of 3-[3-carboxypropyl(cycloheptyl)amino]-2-methylpropanoic acid?
The InChIKey is YILKMIYWWMWUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-12(15(19)20)11-16(10-6-9-14(17)18)13-7-4-2-3-5-8-13/h12-13H,2-11H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-[3-carboxypropyl(cycloheptyl)amino]-2-methylpropanoic acid?
3-[3-carboxypropyl(cycloheptyl)amino]-2-methylpropanoic acid has a molecular weight of 285.38 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-carboxypropyl(cycloheptyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 82330624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).