(2R)-3-phenyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanoic acid

C19H23NO3 — CID 120511546

IUPAC(2R)-3-phenyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanoic acid
SMILESCC(C)Oc1ccc(CN[C@H](Cc2ccccc2)C(=O)O)cc1
InChIInChI=1S/C19H23NO3/c1-14(2)23-17-10-8-16(9-11-17)13-20-18(19(21)22)12-15-6-4-3-5-7-15/h3-11,14,18,20H,12-13H2,1-2H3,(H,21,22)/t18-/m1/s1
InChIKeyGTTXUMFQMMTLGJ-GOSISDBHSA-N
MW313.40 g/mol
LogP3.26
Rot. Bonds8

About (2R)-3-phenyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanoic acid

(2R)-3-phenyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanoic acid (PubChem CID 120511546) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is (2R)-3-phenyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-phenyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanoic acid
PubChem CID120511546
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name(2R)-3-phenyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanoic acid
SMILESCC(C)Oc1ccc(CN[C@H](Cc2ccccc2)C(=O)O)cc1
InChIInChI=1S/C19H23NO3/c1-14(2)23-17-10-8-16(9-11-17)13-20-18(19(21)22)12-15-6-4-3-5-7-15/h3-11,14,18,20H,12-13H2,1-2H3,(H,21,22)/t18-/m1/s1
InChIKeyGTTXUMFQMMTLGJ-GOSISDBHSA-N
XLogP3.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(benzylamino)-3-phenylpropanoic acid
CID 11832004
(2R)-2-[(4-butoxyphenyl)methylamino]-3-phenylpropanoic acid
CID 120511483
(2R)-2-(benzylamino)-3-(4-phenylphenyl)propanoic acid
CID 121475383
(2S)-2-acetamido-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 6710868
ethane;2-phenyl-1-phosphanyl-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 176995208
benzyl (2S)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropanoate
CID 10690881
[(2S)-2-(benzylamino)-3-phenylpropanoyl] (2S)-2-(benzylamino)-3-phenylpropanoate
CID 140618635
N-benzylpropan-2-amine;propan-2-yloxybenzene
CID 169144448
(2S)-2-[(3-phenoxyphenyl)methylamino]-3-phenylpropanoic acid
CID 99796479
(2R)-3-phenyl-2-[(1-propan-2-ylpyrazol-4-yl)methylamino]propanoic acid
CID 120511532
2-[[4-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]methylamino]-3-phenylpropanoic acid
CID 174545133
N-methyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanamide
CID 61057989

Frequently Asked Questions

What is the IUPAC name of (2R)-3-phenyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanoic acid?
The IUPAC name of (2R)-3-phenyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanoic acid (CID 120511546) is (2R)-3-phenyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanoic acid.
What is the SMILES notation for (2R)-3-phenyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanoic acid?
The canonical SMILES for (2R)-3-phenyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanoic acid is CC(C)Oc1ccc(CN[C@H](Cc2ccccc2)C(=O)O)cc1.
What is the InChIKey of (2R)-3-phenyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanoic acid?
The InChIKey is GTTXUMFQMMTLGJ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H23NO3/c1-14(2)23-17-10-8-16(9-11-17)13-20-18(19(21)22)12-15-6-4-3-5-7-15/h3-11,14,18,20H,12-13H2,1-2H3,(H,21,22)/t18-/m1/s1.
What are the key properties of (2R)-3-phenyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanoic acid?
(2R)-3-phenyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanoic acid has a molecular weight of 313.40 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-phenyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanoic acid is sourced from PubChem (CID 120511546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).