3-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylpropanoic acid

C14H26N2O2 — CID 79630442

IUPAC3-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylpropanoic acid
SMILESCC(C)(CN1CCCC(CNC2CC2)C1)C(=O)O
InChIInChI=1S/C14H26N2O2/c1-14(2,13(17)18)10-16-7-3-4-11(9-16)8-15-12-5-6-12/h11-12,15H,3-10H2,1-2H3,(H,17,18)
InChIKeyBOJNKKVKQQNAOH-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.56
Rot. Bonds6

About 3-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylpropanoic acid

3-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylpropanoic acid (PubChem CID 79630442) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylpropanoic acid
PubChem CID79630442
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylpropanoic acid
SMILESCC(C)(CN1CCCC(CNC2CC2)C1)C(=O)O
InChIInChI=1S/C14H26N2O2/c1-14(2,13(17)18)10-16-7-3-4-11(9-16)8-15-12-5-6-12/h11-12,15H,3-10H2,1-2H3,(H,17,18)
InChIKeyBOJNKKVKQQNAOH-UHFFFAOYSA-N
XLogP1.56
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylpropanoate
CID 79631848
4-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2-methylbutan-2-ol
CID 79354897
N-[[1-(methoxymethyl)piperidin-3-yl]methyl]cyclopropanamine
CID 65365085
N-[[(3S)-1-(2,2-dimethylpropyl)piperidin-3-yl]methyl]acetamide
CID 58877734
N-butan-2-yl-2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]acetamide
CID 63847790
3-(azetidin-1-yl)-2,2-dimethylpropanoic acid
CID 66588470
4-(3-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-one
CID 66453803
tert-butyl (3S)-3-[(cyclobutylamino)methyl]piperidine-1-carboxylate
CID 96995948
N-[(1-ethylpiperidin-3-yl)methyl]cyclopentanamine;hydrochloride
CID 115597495
N-[[1-[2-(dimethylamino)-2-methylpropyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62513271
2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-N-phenylacetamide
CID 63847086
2,2-dimethyl-3-(3-methylpyrrolidin-1-yl)propanoic acid
CID 62270133

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylpropanoic acid (CID 79630442) is 3-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylpropanoic acid is CC(C)(CN1CCCC(CNC2CC2)C1)C(=O)O.
What is the InChIKey of 3-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylpropanoic acid?
The InChIKey is BOJNKKVKQQNAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(2,13(17)18)10-16-7-3-4-11(9-16)8-15-12-5-6-12/h11-12,15H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 3-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylpropanoic acid?
3-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylpropanoic acid has a molecular weight of 254.37 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 79630442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).