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

C16H19NO3 — CID 60948626

IUPAC2-[cyclopropyl-[(4-methylphenyl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1ccc(CN(C(=O)C2CC2C(=O)O)C2CC2)cc1
InChIInChI=1S/C16H19NO3/c1-10-2-4-11(5-3-10)9-17(12-6-7-12)15(18)13-8-14(13)16(19)20/h2-5,12-14H,6-9H2,1H3,(H,19,20)
InChIKeyIOAQOONUQKHRQD-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.21
Rot. Bonds5

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

2-[cyclopropyl-[(4-methylphenyl)methyl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 60948626) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[cyclopropyl-[(4-methylphenyl)methyl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[(4-methylphenyl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID60948626
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-[cyclopropyl-[(4-methylphenyl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1ccc(CN(C(=O)C2CC2C(=O)O)C2CC2)cc1
InChIInChI=1S/C16H19NO3/c1-10-2-4-11(5-3-10)9-17(12-6-7-12)15(18)13-8-14(13)16(19)20/h2-5,12-14H,6-9H2,1H3,(H,19,20)
InChIKeyIOAQOONUQKHRQD-UHFFFAOYSA-N
XLogP2.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-2-[cyclopropyl-[(5-methylfuran-2-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 93378560
2-(2-chlorophenyl)-N-cyclopropyl-N-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 55588882
2-[cyclopropyl-[(4-nitrophenyl)methyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120977540
(3S,4S)-1-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122120849
2-[methyl-[(4-methylphenyl)methyl]amino]cyclopropane-1-carboxylic acid
CID 117042658
4-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76993002
N-cyclopropyl-N-[(4-methylphenyl)methyl]pyrrolidine-3-carboxamide
CID 55149693
1-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid
CID 122121388
(2S)-2-amino-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide
CID 66568238
4-amino-N-cyclopropyl-2-methyl-N-[(4-methylphenyl)methyl]butanamide
CID 80543130
2-[methyl-[(4-methylphenyl)methyl]amino]cycloheptane-1-carboxylic acid
CID 63067382
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)acetamide
CID 78814100

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(4-methylphenyl)methyl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[cyclopropyl-[(4-methylphenyl)methyl]carbamoyl]cyclopropane-1-carboxylic acid (CID 60948626) is 2-[cyclopropyl-[(4-methylphenyl)methyl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[cyclopropyl-[(4-methylphenyl)methyl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[cyclopropyl-[(4-methylphenyl)methyl]carbamoyl]cyclopropane-1-carboxylic acid is Cc1ccc(CN(C(=O)C2CC2C(=O)O)C2CC2)cc1.
What is the InChIKey of 2-[cyclopropyl-[(4-methylphenyl)methyl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is IOAQOONUQKHRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-10-2-4-11(5-3-10)9-17(12-6-7-12)15(18)13-8-14(13)16(19)20/h2-5,12-14H,6-9H2,1H3,(H,19,20).
What are the key properties of 2-[cyclopropyl-[(4-methylphenyl)methyl]carbamoyl]cyclopropane-1-carboxylic acid?
2-[cyclopropyl-[(4-methylphenyl)methyl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(4-methylphenyl)methyl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60948626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).