2-(aminomethyl)-2-(cyclopropylmethyl)-3-(4-propan-2-ylphenyl)propanoic acid

C17H25NO2 — CID 106490120

IUPAC2-(aminomethyl)-2-(cyclopropylmethyl)-3-(4-propan-2-ylphenyl)propanoic acid
SMILESCC(C)c1ccc(CC(CN)(CC2CC2)C(=O)O)cc1
InChIInChI=1S/C17H25NO2/c1-12(2)15-7-5-14(6-8-15)10-17(11-18,16(19)20)9-13-3-4-13/h5-8,12-13H,3-4,9-11,18H2,1-2H3,(H,19,20)
InChIKeyZRRQWGSIXHUKEK-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.18
Rot. Bonds7

About 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(4-propan-2-ylphenyl)propanoic acid

2-(aminomethyl)-2-(cyclopropylmethyl)-3-(4-propan-2-ylphenyl)propanoic acid (PubChem CID 106490120) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(4-propan-2-ylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2-(cyclopropylmethyl)-3-(4-propan-2-ylphenyl)propanoic acid
PubChem CID106490120
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-(aminomethyl)-2-(cyclopropylmethyl)-3-(4-propan-2-ylphenyl)propanoic acid
SMILESCC(C)c1ccc(CC(CN)(CC2CC2)C(=O)O)cc1
InChIInChI=1S/C17H25NO2/c1-12(2)15-7-5-14(6-8-15)10-17(11-18,16(19)20)9-13-3-4-13/h5-8,12-13H,3-4,9-11,18H2,1-2H3,(H,19,20)
InChIKeyZRRQWGSIXHUKEK-UHFFFAOYSA-N
XLogP3.18
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-2-[(4-tert-butylphenyl)methyl]-3-cyclopropylpropanoic acid
CID 106490159
2-(aminomethyl)-2-benzyl-3-cyclopropylpropanoic acid
CID 106490095
2-(aminomethyl)-2-(cyclopropylmethyl)-3-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 106490199
2-cyclopropyl-2-methyl-3-(4-propan-2-ylphenyl)propanoic acid
CID 83154352
2-cyclopropyl-2-fluoro-3-(4-propan-2-ylphenyl)propan-1-amine
CID 112567251
2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2,4-difluorophenyl)propanoic acid
CID 106490075
2-hydrazinyl-2-methyl-3-(4-propan-2-ylphenyl)propanoic acid
CID 82129570
2-(aminomethyl)-2-(cyclopropylmethyl)-3-(1-methyltriazol-4-yl)propanoic acid
CID 107067070
methyl 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(3,4-dimethylphenyl)propanoate
CID 106489996
3-(cyclopropylamino)-2-methyl-3-oxo-2-[(4-propan-2-ylphenyl)methyl]propanoic acid
CID 114900279
2-ethyl-2-[[(4-propan-2-ylphenyl)methylamino]methyl]butanoic acid
CID 122129128
2-fluoro-2-phenyl-3-(4-propan-2-ylphenyl)propan-1-amine
CID 115918116

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(4-propan-2-ylphenyl)propanoic acid?
The IUPAC name of 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(4-propan-2-ylphenyl)propanoic acid (CID 106490120) is 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(4-propan-2-ylphenyl)propanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(4-propan-2-ylphenyl)propanoic acid?
The canonical SMILES for 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(4-propan-2-ylphenyl)propanoic acid is CC(C)c1ccc(CC(CN)(CC2CC2)C(=O)O)cc1.
What is the InChIKey of 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(4-propan-2-ylphenyl)propanoic acid?
The InChIKey is ZRRQWGSIXHUKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12(2)15-7-5-14(6-8-15)10-17(11-18,16(19)20)9-13-3-4-13/h5-8,12-13H,3-4,9-11,18H2,1-2H3,(H,19,20).
What are the key properties of 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(4-propan-2-ylphenyl)propanoic acid?
2-(aminomethyl)-2-(cyclopropylmethyl)-3-(4-propan-2-ylphenyl)propanoic acid has a molecular weight of 275.39 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(4-propan-2-ylphenyl)propanoic acid is sourced from PubChem (CID 106490120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).