1-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]cyclopropane-1-carboxylic acid

C16H23NO2 — CID 115242988

IUPAC1-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESCC(C)c1ccc(CN(C)CC2(C(=O)O)CC2)cc1
InChIInChI=1S/C16H23NO2/c1-12(2)14-6-4-13(5-7-14)10-17(3)11-16(8-9-16)15(18)19/h4-7,12H,8-11H2,1-3H3,(H,18,19)
InChIKeyNVRCHWNBXDUQQT-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.11
Rot. Bonds6

About 1-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]cyclopropane-1-carboxylic acid

1-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115242988) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115242988
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESCC(C)c1ccc(CN(C)CC2(C(=O)O)CC2)cc1
InChIInChI=1S/C16H23NO2/c1-12(2)14-6-4-13(5-7-14)10-17(3)11-16(8-9-16)15(18)19/h4-7,12H,8-11H2,1-3H3,(H,18,19)
InChIKeyNVRCHWNBXDUQQT-UHFFFAOYSA-N
XLogP3.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclopentane-1-carboxylic acid
CID 62270527
4-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxane-4-carboxylic acid
CID 62390142
N-(1-adamantylmethyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 122548330
4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxane-4-carboxylic acid
CID 62392237
1-[[methyl-[2-(4-methylphenyl)ethyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115243117
1-[[(4-fluoro-3-methylphenyl)methyl-methylamino]methyl]cyclobutane-1-carboxylic acid
CID 115246561
3-[[benzyl(methyl)amino]methyl]oxolane-3-carboxylic acid
CID 62272842
1-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119681945
N-methyl-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 60631160
1,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]urea
CID 47127099
3-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62231087
3-[methyl-[(4-propan-2-ylphenyl)methyl]amino]butanoic acid
CID 117042175

Frequently Asked Questions

What is the IUPAC name of 1-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]cyclopropane-1-carboxylic acid (CID 115242988) is 1-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]cyclopropane-1-carboxylic acid is CC(C)c1ccc(CN(C)CC2(C(=O)O)CC2)cc1.
What is the InChIKey of 1-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is NVRCHWNBXDUQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12(2)14-6-4-13(5-7-14)10-17(3)11-16(8-9-16)15(18)19/h4-7,12H,8-11H2,1-3H3,(H,18,19).
What are the key properties of 1-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]cyclopropane-1-carboxylic acid?
1-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 261.37 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115242988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).