1-[(2-methoxy-4-propan-2-ylanilino)methyl]cyclopropane-1-carboxylic acid

C15H21NO3 — CID 115242735

IUPAC1-[(2-methoxy-4-propan-2-ylanilino)methyl]cyclopropane-1-carboxylic acid
SMILESCOc1cc(C(C)C)ccc1NCC1(C(=O)O)CC1
InChIInChI=1S/C15H21NO3/c1-10(2)11-4-5-12(13(8-11)19-3)16-9-15(6-7-15)14(17)18/h4-5,8,10,16H,6-7,9H2,1-3H3,(H,17,18)
InChIKeyQFAHOEQPYOLPTD-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.10
Rot. Bonds6

About 1-[(2-methoxy-4-propan-2-ylanilino)methyl]cyclopropane-1-carboxylic acid

1-[(2-methoxy-4-propan-2-ylanilino)methyl]cyclopropane-1-carboxylic acid (PubChem CID 115242735) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[(2-methoxy-4-propan-2-ylanilino)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methoxy-4-propan-2-ylanilino)methyl]cyclopropane-1-carboxylic acid
PubChem CID115242735
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-[(2-methoxy-4-propan-2-ylanilino)methyl]cyclopropane-1-carboxylic acid
SMILESCOc1cc(C(C)C)ccc1NCC1(C(=O)O)CC1
InChIInChI=1S/C15H21NO3/c1-10(2)11-4-5-12(13(8-11)19-3)16-9-15(6-7-15)14(17)18/h4-5,8,10,16H,6-7,9H2,1-3H3,(H,17,18)
InChIKeyQFAHOEQPYOLPTD-UHFFFAOYSA-N
XLogP3.10
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methyl-5-propan-2-ylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115242747
3-(2-methoxy-4-propan-2-ylanilino)-2,2-dimethylpropanoic acid
CID 115136415
4-(2-methoxy-4-propan-2-ylanilino)-2-methylbutanoic acid
CID 115220531
(2-methoxy-4-propan-2-ylanilino)methanethiol
CID 115227622
1-amino-N-(2-methoxy-4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 115189608
N'-(2-methoxy-4-propan-2-ylphenyl)-N-methylbutane-1,4-diamine
CID 115201692
N-(2-methoxy-4-propan-2-ylphenyl)propanamide
CID 110777573
1-[(3-bromo-4-methoxyanilino)methyl]cyclopropane-1-carboxylic acid
CID 115242707
methyl 1-[(2-methoxy-5-propan-2-ylphenyl)methyl]cyclopropane-1-carboxylate
CID 116929798
[1-(hydroxymethyl)cyclobutyl]-(2-methoxy-4-propan-2-ylphenyl)methanone
CID 116921965
3-(2-methoxy-4-propan-2-ylphenyl)oxetane-3-carboxylic acid
CID 116871772
2-cyano-N-(2-methoxy-4-propan-2-ylphenyl)butanamide
CID 115188135

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-4-propan-2-ylanilino)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(2-methoxy-4-propan-2-ylanilino)methyl]cyclopropane-1-carboxylic acid (CID 115242735) is 1-[(2-methoxy-4-propan-2-ylanilino)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-methoxy-4-propan-2-ylanilino)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(2-methoxy-4-propan-2-ylanilino)methyl]cyclopropane-1-carboxylic acid is COc1cc(C(C)C)ccc1NCC1(C(=O)O)CC1.
What is the InChIKey of 1-[(2-methoxy-4-propan-2-ylanilino)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is QFAHOEQPYOLPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10(2)11-4-5-12(13(8-11)19-3)16-9-15(6-7-15)14(17)18/h4-5,8,10,16H,6-7,9H2,1-3H3,(H,17,18).
What are the key properties of 1-[(2-methoxy-4-propan-2-ylanilino)methyl]cyclopropane-1-carboxylic acid?
1-[(2-methoxy-4-propan-2-ylanilino)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-4-propan-2-ylanilino)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115242735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).