(2R)-2-[2-(4-methoxyphenyl)propylamino]-2-phenylacetic acid

C18H21NO3 — CID 122038070

IUPAC(2R)-2-[2-(4-methoxyphenyl)propylamino]-2-phenylacetic acid
SMILESCOc1ccc(C(C)CN[C@@H](C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C18H21NO3/c1-13(14-8-10-16(22-2)11-9-14)12-19-17(18(20)21)15-6-4-3-5-7-15/h3-11,13,17,19H,12H2,1-2H3,(H,20,21)/t13?,17-/m1/s1
InChIKeyAPBKGHRDINVLOF-LRHAYUFXSA-N
MW299.37 g/mol
LogP3.21
Rot. Bonds7

About (2R)-2-[2-(4-methoxyphenyl)propylamino]-2-phenylacetic acid

(2R)-2-[2-(4-methoxyphenyl)propylamino]-2-phenylacetic acid (PubChem CID 122038070) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2R)-2-[2-(4-methoxyphenyl)propylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[2-(4-methoxyphenyl)propylamino]-2-phenylacetic acid
PubChem CID122038070
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name(2R)-2-[2-(4-methoxyphenyl)propylamino]-2-phenylacetic acid
SMILESCOc1ccc(C(C)CN[C@@H](C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C18H21NO3/c1-13(14-8-10-16(22-2)11-9-14)12-19-17(18(20)21)15-6-4-3-5-7-15/h3-11,13,17,19H,12H2,1-2H3,(H,20,21)/t13?,17-/m1/s1
InChIKeyAPBKGHRDINVLOF-LRHAYUFXSA-N
XLogP3.21
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(benzylamino)-2-(4-methoxyphenyl)acetic acid
CID 10612160
2-(4-methoxyphenyl)-2-(1-phenylethylamino)acetic acid
CID 82344765
2-(2-hydroxyethylamino)-2-(4-methoxyphenyl)acetic acid
CID 82027139
(3S)-3-[[(2S)-2-(4-methoxyphenyl)propyl]amino]-2,2-dimethyl-3-phenylpropan-1-ol
CID 124743198
2-[2-(4-methoxyphenyl)propylamino]hexanoic acid
CID 122039668
2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid
CID 500044
(2R)-2-phenyl-2-(3-phenylbutylamino)acetic acid
CID 122038049
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[(2R)-2-phenylpropyl]propanamide
CID 9427304
2-(4-methoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide
CID 78687555
2-[1-(4-methoxyphenyl)propylamino]-N-(2-phenylpropyl)propanamide
CID 112798795
(2S)-2-(2-ethylbutylamino)-2-phenylacetic acid
CID 122038582
(2S)-2-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-phenylacetamide
CID 33473833

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(4-methoxyphenyl)propylamino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[2-(4-methoxyphenyl)propylamino]-2-phenylacetic acid (CID 122038070) is (2R)-2-[2-(4-methoxyphenyl)propylamino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[2-(4-methoxyphenyl)propylamino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[2-(4-methoxyphenyl)propylamino]-2-phenylacetic acid is COc1ccc(C(C)CN[C@@H](C(=O)O)c2ccccc2)cc1.
What is the InChIKey of (2R)-2-[2-(4-methoxyphenyl)propylamino]-2-phenylacetic acid?
The InChIKey is APBKGHRDINVLOF-LRHAYUFXSA-N. The full InChI is InChI=1S/C18H21NO3/c1-13(14-8-10-16(22-2)11-9-14)12-19-17(18(20)21)15-6-4-3-5-7-15/h3-11,13,17,19H,12H2,1-2H3,(H,20,21)/t13?,17-/m1/s1.
What are the key properties of (2R)-2-[2-(4-methoxyphenyl)propylamino]-2-phenylacetic acid?
(2R)-2-[2-(4-methoxyphenyl)propylamino]-2-phenylacetic acid has a molecular weight of 299.37 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(4-methoxyphenyl)propylamino]-2-phenylacetic acid is sourced from PubChem (CID 122038070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).