(2R)-2-[(1-methoxy-3-phenylpropan-2-yl)amino]-3-phenylpropanoic acid

C19H23NO3 — CID 122037947

IUPAC(2R)-2-[(1-methoxy-3-phenylpropan-2-yl)amino]-3-phenylpropanoic acid
SMILESCOCC(Cc1ccccc1)N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C19H23NO3/c1-23-14-17(12-15-8-4-2-5-9-15)20-18(19(21)22)13-16-10-6-3-7-11-16/h2-11,17-18,20H,12-14H2,1H3,(H,21,22)/t17?,18-/m1/s1
InChIKeyZMRGAGQKKXPVNW-QRWMCTBCSA-N
MW313.40 g/mol
LogP2.53
Rot. Bonds9

About (2R)-2-[(1-methoxy-3-phenylpropan-2-yl)amino]-3-phenylpropanoic acid

(2R)-2-[(1-methoxy-3-phenylpropan-2-yl)amino]-3-phenylpropanoic acid (PubChem CID 122037947) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is (2R)-2-[(1-methoxy-3-phenylpropan-2-yl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(1-methoxy-3-phenylpropan-2-yl)amino]-3-phenylpropanoic acid
PubChem CID122037947
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name(2R)-2-[(1-methoxy-3-phenylpropan-2-yl)amino]-3-phenylpropanoic acid
SMILESCOCC(Cc1ccccc1)N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C19H23NO3/c1-23-14-17(12-15-8-4-2-5-9-15)20-18(19(21)22)13-16-10-6-3-7-11-16/h2-11,17-18,20H,12-14H2,1H3,(H,21,22)/t17?,18-/m1/s1
InChIKeyZMRGAGQKKXPVNW-QRWMCTBCSA-N
XLogP2.53
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[(1-methoxy-3-phenylpropan-2-yl)amino]-3-phenylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(1-methoxy-4-methylpentan-2-yl)amino]-3-phenylpropanoic acid
CID 122037606
2-[[(1S)-1-carboxyethyl]amino]-3-phenylpropanoic acid
CID 155261941
2-(2-methoxyethylsulfonylamino)-3-phenylpropanoic acid
CID 55009884
(2R)-2-[bis(2-methoxyethyl)carbamoylamino]-3-phenylpropanoic acid
CID 120913356
2-[(2-methoxyacetyl)amino]-3-phenylpropanoic acid
CID 16774532
2-[2-(2-methoxyethoxy)ethylamino]-3-phenylpropanoic acid
CID 67284187
(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 6951135
methyl 2-[(1-hydroxy-3-phenylpropan-2-yl)amino]propanoate
CID 63261414
(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
CID 11989622
tert-butyl N-[(2R)-1-methoxy-3-phenylpropan-2-yl]carbamate
CID 162715602
2-[(1-fluoro-2-oxopropyl)amino]-3-phenylpropanoic acid
CID 139761014
2-[(2-methoxy-1-phenylethyl)amino]-3-phenylpropan-1-ol
CID 103464251

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-methoxy-3-phenylpropan-2-yl)amino]-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-[(1-methoxy-3-phenylpropan-2-yl)amino]-3-phenylpropanoic acid (CID 122037947) is (2R)-2-[(1-methoxy-3-phenylpropan-2-yl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[(1-methoxy-3-phenylpropan-2-yl)amino]-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[(1-methoxy-3-phenylpropan-2-yl)amino]-3-phenylpropanoic acid is COCC(Cc1ccccc1)N[C@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-[(1-methoxy-3-phenylpropan-2-yl)amino]-3-phenylpropanoic acid?
The InChIKey is ZMRGAGQKKXPVNW-QRWMCTBCSA-N. The full InChI is InChI=1S/C19H23NO3/c1-23-14-17(12-15-8-4-2-5-9-15)20-18(19(21)22)13-16-10-6-3-7-11-16/h2-11,17-18,20H,12-14H2,1H3,(H,21,22)/t17?,18-/m1/s1.
What are the key properties of (2R)-2-[(1-methoxy-3-phenylpropan-2-yl)amino]-3-phenylpropanoic acid?
(2R)-2-[(1-methoxy-3-phenylpropan-2-yl)amino]-3-phenylpropanoic acid has a molecular weight of 313.40 g/mol, XLogP of 2.53, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-methoxy-3-phenylpropan-2-yl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 122037947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).