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

C15H19NO4 — CID 60934556

IUPAC2-[(4-methyl-2-propoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCCCOc1cc(C)ccc1NC(=O)C1CC1C(=O)O
InChIInChI=1S/C15H19NO4/c1-3-6-20-13-7-9(2)4-5-12(13)16-14(17)10-8-11(10)15(18)19/h4-5,7,10-11H,3,6,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyUHKLWWVLOIQHKZ-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.44
Rot. Bonds6

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

2-[(4-methyl-2-propoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 60934556) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[(4-methyl-2-propoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-methyl-2-propoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID60934556
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-[(4-methyl-2-propoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCCCOc1cc(C)ccc1NC(=O)C1CC1C(=O)O
InChIInChI=1S/C15H19NO4/c1-3-6-20-13-7-9(2)4-5-12(13)16-14(17)10-8-11(10)15(18)19/h4-5,7,10-11H,3,6,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyUHKLWWVLOIQHKZ-UHFFFAOYSA-N
XLogP2.44
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,6S)-6-[(4-methyl-2-propoxyphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 94184908
2-[[2-(2-methoxyethoxy)-4-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975087
cis-(1S,2R)-2-[[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 146106643
4-amino-N-(4-methyl-2-propoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79210955
2-[(2-ethoxy-4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978084
cis-(1S,2R)-2-[(2,4-dimethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93344028
3-methyl-N-(4-methyl-2-propoxyphenyl)pyrrolidine-2-carboxamide
CID 102778369
3-amino-N-(4-methyl-2-propoxyphenyl)cyclohexane-1-carboxamide
CID 63042176
N-(4-methyl-2-propoxyphenyl)butanamide
CID 61061572
(3S,4S)-1-[(4-methyl-2-propoxyphenyl)carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122076847
2-methyl-N-(4-methyl-2-propoxyphenyl)propanamide
CID 61062170
N-(4-methyl-2-propoxyphenyl)piperidine-3-carboxamide
CID 60928613

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-2-propoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(4-methyl-2-propoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 60934556) is 2-[(4-methyl-2-propoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-methyl-2-propoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(4-methyl-2-propoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid is CCCOc1cc(C)ccc1NC(=O)C1CC1C(=O)O.
What is the InChIKey of 2-[(4-methyl-2-propoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is UHKLWWVLOIQHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-3-6-20-13-7-9(2)4-5-12(13)16-14(17)10-8-11(10)15(18)19/h4-5,7,10-11H,3,6,8H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(4-methyl-2-propoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
2-[(4-methyl-2-propoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-2-propoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60934556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).