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

C13H17NO2 — CID 117042658

IUPAC2-[methyl-[(4-methylphenyl)methyl]amino]cyclopropane-1-carboxylic acid
SMILESCc1ccc(CN(C)C2CC2C(=O)O)cc1
InChIInChI=1S/C13H17NO2/c1-9-3-5-10(6-4-9)8-14(2)12-7-11(12)13(15)16/h3-6,11-12H,7-8H2,1-2H3,(H,15,16)
InChIKeySGSRKNJDLWTDOM-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.90
Rot. Bonds4

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

2-[methyl-[(4-methylphenyl)methyl]amino]cyclopropane-1-carboxylic acid (PubChem CID 117042658) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-[methyl-[(4-methylphenyl)methyl]amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[methyl-[(4-methylphenyl)methyl]amino]cyclopropane-1-carboxylic acid
PubChem CID117042658
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-[methyl-[(4-methylphenyl)methyl]amino]cyclopropane-1-carboxylic acid
SMILESCc1ccc(CN(C)C2CC2C(=O)O)cc1
InChIInChI=1S/C13H17NO2/c1-9-3-5-10(6-4-9)8-14(2)12-7-11(12)13(15)16/h3-6,11-12H,7-8H2,1-2H3,(H,15,16)
InChIKeySGSRKNJDLWTDOM-UHFFFAOYSA-N
XLogP1.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-fluorophenyl)methyl-methylamino]cyclopropane-1-carboxylic acid
CID 117042665
2-[methyl-[(4-methylphenyl)methyl]amino]cycloheptane-1-carboxylic acid
CID 63067382
2-[(4-chlorophenyl)methyl-methylamino]-4-methylcyclohexane-1-carboxylic acid
CID 63072994
2-[1,3-benzoxazol-6-ylmethyl(methyl)amino]cyclopropane-1-carboxylic acid
CID 117042722
2-[cyclopropyl-[(4-methylphenyl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60948626
2-[(5-chlorothiophen-2-yl)methyl-methylamino]cyclopropane-1-carboxylic acid
CID 117042685
2-[2-(4-ethylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid
CID 117042769
2-[(5-bromothiophen-2-yl)methyl-methylamino]cyclopropane-1-carboxylic acid
CID 117042686
4-[(4-cyclopropylphenyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 79977911
(3R,4S)-4-[methyl-[(4-methylphenyl)methyl]amino]-1,1-dioxothiolan-3-ol
CID 129365562
(3R,4R)-4-[methyl-[(4-methylphenyl)methyl]amino]-1,1-dioxothiolan-3-ol
CID 129365563
2-[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid
CID 117042779

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(4-methylphenyl)methyl]amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[methyl-[(4-methylphenyl)methyl]amino]cyclopropane-1-carboxylic acid (CID 117042658) is 2-[methyl-[(4-methylphenyl)methyl]amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[methyl-[(4-methylphenyl)methyl]amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[methyl-[(4-methylphenyl)methyl]amino]cyclopropane-1-carboxylic acid is Cc1ccc(CN(C)C2CC2C(=O)O)cc1.
What is the InChIKey of 2-[methyl-[(4-methylphenyl)methyl]amino]cyclopropane-1-carboxylic acid?
The InChIKey is SGSRKNJDLWTDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9-3-5-10(6-4-9)8-14(2)12-7-11(12)13(15)16/h3-6,11-12H,7-8H2,1-2H3,(H,15,16).
What are the key properties of 2-[methyl-[(4-methylphenyl)methyl]amino]cyclopropane-1-carboxylic acid?
2-[methyl-[(4-methylphenyl)methyl]amino]cyclopropane-1-carboxylic acid has a molecular weight of 219.28 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(4-methylphenyl)methyl]amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117042658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).