2-[2-methylpropyl-[1-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid

C17H27NO3 — CID 65063760

IUPAC2-[2-methylpropyl-[1-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(C)c1ccc(OC(C)C)cc1
InChIInChI=1S/C17H27NO3/c1-12(2)10-18(11-17(19)20)14(5)15-6-8-16(9-7-15)21-13(3)4/h6-9,12-14H,10-11H2,1-5H3,(H,19,20)
InChIKeyOUZRCCYPORJQSE-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.58
Rot. Bonds8

About 2-[2-methylpropyl-[1-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid

2-[2-methylpropyl-[1-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid (PubChem CID 65063760) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[2-methylpropyl-[1-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl-[1-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid
PubChem CID65063760
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-[2-methylpropyl-[1-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(C)c1ccc(OC(C)C)cc1
InChIInChI=1S/C17H27NO3/c1-12(2)10-18(11-17(19)20)14(5)15-6-8-16(9-7-15)21-13(3)4/h6-9,12-14H,10-11H2,1-5H3,(H,19,20)
InChIKeyOUZRCCYPORJQSE-UHFFFAOYSA-N
XLogP3.58
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-ethoxyphenyl)ethyl-(2-methylpropyl)amino]acetic acid
CID 65063803
2-[cyclopropylmethyl-[1-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid
CID 65055145
6-methyl-3-(4-propan-2-yloxyphenyl)heptanoic acid
CID 3360093
(5S)-5-hydroxy-5-(4-propan-2-yloxyphenyl)pentanoic acid
CID 28945621
3-[2-methylpropyl(1-phenylethyl)amino]propanoic acid
CID 82328958
2-[1-[4-(difluoromethoxy)phenyl]ethyl-propan-2-ylamino]acetic acid
CID 65056837
3-phenyl-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 2939109
2-[1-(4-ethoxyphenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263710
N,N-dimethyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 116914623
2-[2-methylpropyl-[1-(3-nitrophenyl)ethyl]amino]acetic acid
CID 65063913
2-[carboxymethyl-[1-(4-cyanophenyl)ethyl]amino]acetic acid
CID 65065694
2-[methyl-[2-(4-propan-2-yloxyphenyl)acetyl]amino]acetic acid
CID 98017762

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl-[1-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl-[1-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid (CID 65063760) is 2-[2-methylpropyl-[1-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl-[1-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl-[1-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid is CC(C)CN(CC(=O)O)C(C)c1ccc(OC(C)C)cc1.
What is the InChIKey of 2-[2-methylpropyl-[1-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid?
The InChIKey is OUZRCCYPORJQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-12(2)10-18(11-17(19)20)14(5)15-6-8-16(9-7-15)21-13(3)4/h6-9,12-14H,10-11H2,1-5H3,(H,19,20).
What are the key properties of 2-[2-methylpropyl-[1-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid?
2-[2-methylpropyl-[1-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid has a molecular weight of 293.41 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl-[1-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid is sourced from PubChem (CID 65063760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).