2-(cyclopropylamino)-2-(2-methoxy-4-propan-2-ylphenyl)acetic acid

C15H21NO3 — CID 112513593

IUPAC2-(cyclopropylamino)-2-(2-methoxy-4-propan-2-ylphenyl)acetic acid
SMILESCOc1cc(C(C)C)ccc1C(NC1CC1)C(=O)O
InChIInChI=1S/C15H21NO3/c1-9(2)10-4-7-12(13(8-10)19-3)14(15(17)18)16-11-5-6-11/h4,7-9,11,14,16H,5-6H2,1-3H3,(H,17,18)
InChIKeyQHZHGEWIPFTKIV-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.70
Rot. Bonds6

About 2-(cyclopropylamino)-2-(2-methoxy-4-propan-2-ylphenyl)acetic acid

2-(cyclopropylamino)-2-(2-methoxy-4-propan-2-ylphenyl)acetic acid (PubChem CID 112513593) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-(2-methoxy-4-propan-2-ylphenyl)acetic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-(2-methoxy-4-propan-2-ylphenyl)acetic acid
PubChem CID112513593
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-(cyclopropylamino)-2-(2-methoxy-4-propan-2-ylphenyl)acetic acid
SMILESCOc1cc(C(C)C)ccc1C(NC1CC1)C(=O)O
InChIInChI=1S/C15H21NO3/c1-9(2)10-4-7-12(13(8-10)19-3)14(15(17)18)16-11-5-6-11/h4,7-9,11,14,16H,5-6H2,1-3H3,(H,17,18)
InChIKeyQHZHGEWIPFTKIV-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxy-4-propan-2-ylphenyl)-3-methylbutanoic acid
CID 82297509
methyl 2-(2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)acetate
CID 116857011
2-(cycloheptylamino)-2-(3-fluoro-4-methoxyphenyl)acetic acid
CID 65096305
2-(dimethylamino)-2-(2-methoxy-4-propan-2-ylphenyl)acetic acid
CID 82481256
2-(cyclopropylamino)-2-(6-methoxynaphthalen-2-yl)acetic acid
CID 43754550
2-[1-(2-methoxy-4-propan-2-ylphenyl)ethoxy]acetic acid
CID 112514676
2-(cyclohexylamino)-2-(4-methoxyphenyl)acetic acid
CID 54892880
2-(2-methoxy-4-propan-2-ylphenyl)-4-methylpentanoic acid
CID 112519602
1-(2-methoxy-4-propan-2-ylphenyl)ethanol
CID 83531211
methyl 2-(cyclopropylamino)-2-(3,4,5-trimethoxyphenyl)acetate
CID 60797315
N-cyclopropyl-2-(2-methoxy-4-propan-2-ylphenoxy)acetamide
CID 177158445
2-(3,4-dimethoxyphenyl)-2-(propan-2-ylamino)acetic acid
CID 43754348

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-(2-methoxy-4-propan-2-ylphenyl)acetic acid?
The IUPAC name of 2-(cyclopropylamino)-2-(2-methoxy-4-propan-2-ylphenyl)acetic acid (CID 112513593) is 2-(cyclopropylamino)-2-(2-methoxy-4-propan-2-ylphenyl)acetic acid.
What is the SMILES notation for 2-(cyclopropylamino)-2-(2-methoxy-4-propan-2-ylphenyl)acetic acid?
The canonical SMILES for 2-(cyclopropylamino)-2-(2-methoxy-4-propan-2-ylphenyl)acetic acid is COc1cc(C(C)C)ccc1C(NC1CC1)C(=O)O.
What is the InChIKey of 2-(cyclopropylamino)-2-(2-methoxy-4-propan-2-ylphenyl)acetic acid?
The InChIKey is QHZHGEWIPFTKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-9(2)10-4-7-12(13(8-10)19-3)14(15(17)18)16-11-5-6-11/h4,7-9,11,14,16H,5-6H2,1-3H3,(H,17,18).
What are the key properties of 2-(cyclopropylamino)-2-(2-methoxy-4-propan-2-ylphenyl)acetic acid?
2-(cyclopropylamino)-2-(2-methoxy-4-propan-2-ylphenyl)acetic acid has a molecular weight of 263.34 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-(2-methoxy-4-propan-2-ylphenyl)acetic acid is sourced from PubChem (CID 112513593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).