3-[(4,4-dimethylcycloheptyl)amino]propanoic acid

C12H23NO2 — CID 65084019

IUPAC3-[(4,4-dimethylcycloheptyl)amino]propanoic acid
SMILESCC1(C)CCCC(NCCC(=O)O)CC1
InChIInChI=1S/C12H23NO2/c1-12(2)7-3-4-10(5-8-12)13-9-6-11(14)15/h10,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyWPVUKJQTLIRSRA-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.41
Rot. Bonds4

About 3-[(4,4-dimethylcycloheptyl)amino]propanoic acid

3-[(4,4-dimethylcycloheptyl)amino]propanoic acid (PubChem CID 65084019) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-[(4,4-dimethylcycloheptyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(4,4-dimethylcycloheptyl)amino]propanoic acid
PubChem CID65084019
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-[(4,4-dimethylcycloheptyl)amino]propanoic acid
SMILESCC1(C)CCCC(NCCC(=O)O)CC1
InChIInChI=1S/C12H23NO2/c1-12(2)7-3-4-10(5-8-12)13-9-6-11(14)15/h10,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyWPVUKJQTLIRSRA-UHFFFAOYSA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4,4-dimethylcycloheptyl)amino]-N-methylpropanamide
CID 65083464
N-butyl-4,4-dimethylcycloheptan-1-amine
CID 65082955
6-[(4,4-dimethylcycloheptyl)amino]hexan-1-ol
CID 114008759
3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid
CID 112681935
4-(spiro[4.5]decan-8-ylamino)butanoic acid
CID 114817440
4-(cycloheptylamino)butanoic acid
CID 43377987
N-cyclopropyl-2-[(4,4-dimethylcycloheptyl)amino]acetamide
CID 65084569
4,4-dimethyl-N-(3-methylsulfonylpropyl)cycloheptan-1-amine
CID 65083791
N-cyclopropyl-4-[(4,4-dimethylcyclohexyl)amino]butanamide
CID 79032428
tert-butyl 3-[(4,4-dimethylcyclohexyl)amino]propanoate
CID 113243262
3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]propanoic acid
CID 106658180
ethyl 2-[(4,4-dimethylcycloheptyl)amino]acetate
CID 65083489

Frequently Asked Questions

What is the IUPAC name of 3-[(4,4-dimethylcycloheptyl)amino]propanoic acid?
The IUPAC name of 3-[(4,4-dimethylcycloheptyl)amino]propanoic acid (CID 65084019) is 3-[(4,4-dimethylcycloheptyl)amino]propanoic acid.
What is the SMILES notation for 3-[(4,4-dimethylcycloheptyl)amino]propanoic acid?
The canonical SMILES for 3-[(4,4-dimethylcycloheptyl)amino]propanoic acid is CC1(C)CCCC(NCCC(=O)O)CC1.
What is the InChIKey of 3-[(4,4-dimethylcycloheptyl)amino]propanoic acid?
The InChIKey is WPVUKJQTLIRSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-12(2)7-3-4-10(5-8-12)13-9-6-11(14)15/h10,13H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 3-[(4,4-dimethylcycloheptyl)amino]propanoic acid?
3-[(4,4-dimethylcycloheptyl)amino]propanoic acid has a molecular weight of 213.32 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,4-dimethylcycloheptyl)amino]propanoic acid is sourced from PubChem (CID 65084019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).