2-(aminomethyl)-2-[(4-tert-butylphenyl)methyl]-3-cyclopropylpropanoic acid

C18H27NO2 — CID 106490159

IUPAC2-(aminomethyl)-2-[(4-tert-butylphenyl)methyl]-3-cyclopropylpropanoic acid
SMILESCC(C)(C)c1ccc(CC(CN)(CC2CC2)C(=O)O)cc1
InChIInChI=1S/C18H27NO2/c1-17(2,3)15-8-6-14(7-9-15)11-18(12-19,16(20)21)10-13-4-5-13/h6-9,13H,4-5,10-12,19H2,1-3H3,(H,20,21)
InChIKeyFLDBVNSHGPFVPE-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.36
Rot. Bonds6

About 2-(aminomethyl)-2-[(4-tert-butylphenyl)methyl]-3-cyclopropylpropanoic acid

2-(aminomethyl)-2-[(4-tert-butylphenyl)methyl]-3-cyclopropylpropanoic acid (PubChem CID 106490159) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(aminomethyl)-2-[(4-tert-butylphenyl)methyl]-3-cyclopropylpropanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2-[(4-tert-butylphenyl)methyl]-3-cyclopropylpropanoic acid
PubChem CID106490159
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-(aminomethyl)-2-[(4-tert-butylphenyl)methyl]-3-cyclopropylpropanoic acid
SMILESCC(C)(C)c1ccc(CC(CN)(CC2CC2)C(=O)O)cc1
InChIInChI=1S/C18H27NO2/c1-17(2,3)15-8-6-14(7-9-15)11-18(12-19,16(20)21)10-13-4-5-13/h6-9,13H,4-5,10-12,19H2,1-3H3,(H,20,21)
InChIKeyFLDBVNSHGPFVPE-UHFFFAOYSA-N
XLogP3.36
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Phenibut
CID 14113
4-amino-6-(4-octylphenyl)hexanoic Acid
CID 10125714
3-Amino-3-(4-methylphenyl)propanoic acid
CID 2733680
2-[(4-tert-Butylphenyl)methyl]-3-piperidin-1-ylpropanoic acid
CID 139597728
3-amino-5-(4-octylphenyl)pentanoic Acid
CID 10149595
(R)-3-Amino-2-phenylpropionic acid
CID 10964866
7-Amino-2-(4-phenylbutanoylselanylmethyl)heptanoic acid
CID 66563227
7-Amino-2-(3-phenylpropanoylselanylmethyl)heptanoic acid
CID 66563229
2-(1-(Aminomethyl)-3-phenylcyclopentyl)acetic acid
CID 9834574
2-(1-(Aminomethyl)-3-benzylcyclopentyl)acetic acid
CID 9942915
(1S)-2-(aminomethyl)-1-phenylcyclopropane-1-carboxylic acid
CID 44339751
beta-Amino-4-ethylbenzenepropanoic acid
CID 584129

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-[(4-tert-butylphenyl)methyl]-3-cyclopropylpropanoic acid?
The IUPAC name of 2-(aminomethyl)-2-[(4-tert-butylphenyl)methyl]-3-cyclopropylpropanoic acid (CID 106490159) is 2-(aminomethyl)-2-[(4-tert-butylphenyl)methyl]-3-cyclopropylpropanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2-[(4-tert-butylphenyl)methyl]-3-cyclopropylpropanoic acid?
The canonical SMILES for 2-(aminomethyl)-2-[(4-tert-butylphenyl)methyl]-3-cyclopropylpropanoic acid is CC(C)(C)c1ccc(CC(CN)(CC2CC2)C(=O)O)cc1.
What is the InChIKey of 2-(aminomethyl)-2-[(4-tert-butylphenyl)methyl]-3-cyclopropylpropanoic acid?
The InChIKey is FLDBVNSHGPFVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-17(2,3)15-8-6-14(7-9-15)11-18(12-19,16(20)21)10-13-4-5-13/h6-9,13H,4-5,10-12,19H2,1-3H3,(H,20,21).
What are the key properties of 2-(aminomethyl)-2-[(4-tert-butylphenyl)methyl]-3-cyclopropylpropanoic acid?
2-(aminomethyl)-2-[(4-tert-butylphenyl)methyl]-3-cyclopropylpropanoic acid has a molecular weight of 289.42 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-[(4-tert-butylphenyl)methyl]-3-cyclopropylpropanoic acid is sourced from PubChem (CID 106490159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).