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

C17H25NO3 — CID 65055145

IUPAC2-[cyclopropylmethyl-[1-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid
SMILESCC(C)Oc1ccc(C(C)N(CC(=O)O)CC2CC2)cc1
InChIInChI=1S/C17H25NO3/c1-12(2)21-16-8-6-15(7-9-16)13(3)18(11-17(19)20)10-14-4-5-14/h6-9,12-14H,4-5,10-11H2,1-3H3,(H,19,20)
InChIKeyYBZUCZVPRKGARN-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.33
Rot. Bonds8

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

2-[cyclopropylmethyl-[1-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid (PubChem CID 65055145) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[1-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[1-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid
PubChem CID65055145
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-[cyclopropylmethyl-[1-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid
SMILESCC(C)Oc1ccc(C(C)N(CC(=O)O)CC2CC2)cc1
InChIInChI=1S/C17H25NO3/c1-12(2)21-16-8-6-15(7-9-16)13(3)18(11-17(19)20)10-14-4-5-14/h6-9,12-14H,4-5,10-11H2,1-3H3,(H,19,20)
InChIKeyYBZUCZVPRKGARN-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-chlorophenyl)ethyl-(cyclopropylmethyl)amino]acetic acid
CID 65055047
2-[2-methylpropyl-[1-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid
CID 65063760
2-[1-(3-bromophenyl)ethyl-(cyclopropylmethyl)amino]acetic acid
CID 65054651
2-[cyclopropylmethyl-[1-(3-methylthiophen-2-yl)ethyl]amino]acetic acid
CID 65054956
N-(cyclopropylmethyl)-1-(4-propan-2-yloxyphenyl)-N-propylethane-1,2-diamine
CID 61440569
2-[1-(4-ethoxyphenyl)ethyl-(2-methylpropyl)amino]acetic acid
CID 65063803
2-[1-(1-benzofuran-2-yl)ethyl-(cyclopropylmethyl)amino]acetic acid
CID 65055146
(5S)-5-hydroxy-5-(4-propan-2-yloxyphenyl)pentanoic acid
CID 28945621
2-[methyl-[2-(4-propan-2-yloxyphenyl)acetyl]amino]acetic acid
CID 98017762
2-[1-[4-(difluoromethoxy)phenyl]ethyl-propan-2-ylamino]acetic acid
CID 65056837
2-[methyl-[(4-propan-2-yloxyphenyl)carbamoyl]amino]acetic acid
CID 43318594
(1S)-2-cyclopropyl-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride
CID 171230371

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[1-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[1-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid (CID 65055145) is 2-[cyclopropylmethyl-[1-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[1-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[1-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid is CC(C)Oc1ccc(C(C)N(CC(=O)O)CC2CC2)cc1.
What is the InChIKey of 2-[cyclopropylmethyl-[1-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid?
The InChIKey is YBZUCZVPRKGARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-12(2)21-16-8-6-15(7-9-16)13(3)18(11-17(19)20)10-14-4-5-14/h6-9,12-14H,4-5,10-11H2,1-3H3,(H,19,20).
What are the key properties of 2-[cyclopropylmethyl-[1-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid?
2-[cyclopropylmethyl-[1-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid has a molecular weight of 291.39 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[1-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid is sourced from PubChem (CID 65055145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).