2-[cyclopropyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]acetic acid

C17H25NO3 — CID 60835313

IUPAC2-[cyclopropyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]acetic acid
SMILESCc1cc(OCCN(CC(=O)O)C2CC2)ccc1C(C)C
InChIInChI=1S/C17H25NO3/c1-12(2)16-7-6-15(10-13(16)3)21-9-8-18(11-17(19)20)14-4-5-14/h6-7,10,12,14H,4-5,8-9,11H2,1-3H3,(H,19,20)
InChIKeyVYKDESUYZMSYFW-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.05
Rot. Bonds8

About 2-[cyclopropyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]acetic acid

2-[cyclopropyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]acetic acid (PubChem CID 60835313) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]acetic acid
PubChem CID60835313
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-[cyclopropyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]acetic acid
SMILESCc1cc(OCCN(CC(=O)O)C2CC2)ccc1C(C)C
InChIInChI=1S/C17H25NO3/c1-12(2)16-7-6-15(10-13(16)3)21-9-8-18(11-17(19)20)14-4-5-14/h6-7,10,12,14H,4-5,8-9,11H2,1-3H3,(H,19,20)
InChIKeyVYKDESUYZMSYFW-UHFFFAOYSA-N
XLogP3.05
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]propanoic acid
CID 60987347
3-(3-methyl-4-propan-2-ylphenoxy)propanoic acid
CID 16773331
2-[2-(4-chlorophenoxy)ethyl-cyclopropylamino]acetic acid
CID 54945677
2-[2-hydroxyethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]ethanol
CID 60686361
N-cyclopropyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 78759925
2-[2-(3-bromophenoxy)ethyl-cyclopentylamino]acetic acid
CID 60834612
N-cyclopentyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 134007945
3-(3-methyl-4-propan-2-ylphenoxy)propan-1-ol
CID 43509991
2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propanoic acid
CID 43537580
(3S)-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperidine-3-carboxylic acid
CID 124682029
N'-methyl-N'-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine
CID 62688459
2-(methylamino)-4-(3-methyl-4-propan-2-ylphenoxy)butanoic acid
CID 63040113

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]acetic acid (CID 60835313) is 2-[cyclopropyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]acetic acid is Cc1cc(OCCN(CC(=O)O)C2CC2)ccc1C(C)C.
What is the InChIKey of 2-[cyclopropyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]acetic acid?
The InChIKey is VYKDESUYZMSYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-12(2)16-7-6-15(10-13(16)3)21-9-8-18(11-17(19)20)14-4-5-14/h6-7,10,12,14H,4-5,8-9,11H2,1-3H3,(H,19,20).
What are the key properties of 2-[cyclopropyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]acetic acid?
2-[cyclopropyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]acetic acid has a molecular weight of 291.39 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]acetic acid is sourced from PubChem (CID 60835313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).