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

C14H19NO2 — CID 116938559

IUPAC2-[amino-(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxylic acid
SMILESCC(C)c1ccc(C(N)C2CC2C(=O)O)cc1
InChIInChI=1S/C14H19NO2/c1-8(2)9-3-5-10(6-4-9)13(15)11-7-12(11)14(16)17/h3-6,8,11-13H,7,15H2,1-2H3,(H,16,17)
InChIKeyRKZKOWGUNVOWPI-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.53
Rot. Bonds4

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

2-[amino-(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxylic acid (PubChem CID 116938559) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[amino-(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[amino-(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxylic acid
PubChem CID116938559
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-[amino-(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxylic acid
SMILESCC(C)c1ccc(C(N)C2CC2C(=O)O)cc1
InChIInChI=1S/C14H19NO2/c1-8(2)9-3-5-10(6-4-9)13(15)11-7-12(11)14(16)17/h3-6,8,11-13H,7,15H2,1-2H3,(H,16,17)
InChIKeyRKZKOWGUNVOWPI-UHFFFAOYSA-N
XLogP2.53
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[amino-(3,4-dichlorophenyl)methyl]cyclopropane-1-carboxylic acid
CID 116938659
2-[amino-(6-methylnaphthalen-2-yl)methyl]cyclopropane-1-carboxylic acid
CID 116938681
2-[amino-(3-chloro-4-ethoxyphenyl)methyl]cyclopropane-1-carboxylic acid
CID 116938610
2-(4-propan-2-ylphenyl)sulfanylcyclopropane-1-carboxylic acid
CID 117033547
2-[amino-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]cyclopropane-1-carboxylic acid
CID 116938650
2-[methyl-(4-propan-2-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977341
2-[amino-(1,2-dimethylbenzimidazol-5-yl)methyl]cyclopropane-1-carboxylic acid
CID 116938647
cis-(1R,2S)-2-[amino(phenyl)methyl]-N,N-diethylcyclopropane-1-carboxamide
CID 71293368
(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methanamine
CID 99724266
(S)-(4-chlorophenyl)-[(1R,2S)-2-methylcyclopropyl]methanamine
CID 93262194
4-methyl-2-(4-propan-2-ylphenyl)sulfanylcyclohexane-1-carboxylic acid
CID 63529806
2-[1-(2,6-dichlorophenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83925000

Frequently Asked Questions

What is the IUPAC name of 2-[amino-(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[amino-(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxylic acid (CID 116938559) is 2-[amino-(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[amino-(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[amino-(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxylic acid is CC(C)c1ccc(C(N)C2CC2C(=O)O)cc1.
What is the InChIKey of 2-[amino-(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is RKZKOWGUNVOWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-8(2)9-3-5-10(6-4-9)13(15)11-7-12(11)14(16)17/h3-6,8,11-13H,7,15H2,1-2H3,(H,16,17).
What are the key properties of 2-[amino-(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxylic acid?
2-[amino-(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 233.31 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino-(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116938559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).