(2R)-4-methyl-2-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enyl]amino]pentanoic acid

C22H27NO3 — CID 122037396

IUPAC(2R)-4-methyl-2-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enyl]amino]pentanoic acid
SMILESCC(C)C[C@@H](NC/C=C/c1ccc(OCc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C22H27NO3/c1-17(2)15-21(22(24)25)23-14-6-9-18-10-12-20(13-11-18)26-16-19-7-4-3-5-8-19/h3-13,17,21,23H,14-16H2,1-2H3,(H,24,25)/b9-6+/t21-/m1/s1
InChIKeyQMMNNJYNLJMFEZ-VHTFYLNKSA-N
MW353.46 g/mol
LogP4.37
Rot. Bonds10

About (2R)-4-methyl-2-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enyl]amino]pentanoic acid

(2R)-4-methyl-2-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enyl]amino]pentanoic acid (PubChem CID 122037396) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is (2R)-4-methyl-2-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enyl]amino]pentanoic acid
PubChem CID122037396
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name(2R)-4-methyl-2-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enyl]amino]pentanoic acid
SMILESCC(C)C[C@@H](NC/C=C/c1ccc(OCc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C22H27NO3/c1-17(2)15-21(22(24)25)23-14-6-9-18-10-12-20(13-11-18)26-16-19-7-4-3-5-8-19/h3-13,17,21,23H,14-16H2,1-2H3,(H,24,25)/b9-6+/t21-/m1/s1
InChIKeyQMMNNJYNLJMFEZ-VHTFYLNKSA-N
XLogP4.37
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-4-methyl-2-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enyl]amino]pentanoic acid with MolForge

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Related Compounds

(2S)-2-[3-[4-(phenoxymethyl)phenyl]prop-2-enylamino]-3-phenylpropanoic acid
CID 90959902
(2R)-3-methyl-2-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enyl]amino]butanoic acid
CID 122124269
(2S,4S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enyl]pentanedioic acid
CID 89120399
N-[4-(4-phenylmethoxyphenyl)but-3-enyl]acetamide
CID 170489660
(2S)-4-methyl-2-[(2-methyl-3-oxo-3-phenylmethoxypropyl)amino]pentanoic acid
CID 18661239
(1E,4E)-1,5-bis(4-phenylmethoxyphenyl)penta-1,4-dien-3-one
CID 6475153
N-(cinnamylideneamino)-2-(4-phenylmethoxyphenoxy)propanamide
CID 6821492
(2S)-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid
CID 6917545
(E)-5-phenyl-2-[2-(4-phenylmethoxyphenyl)ethyl]pent-4-enoic acid
CID 68653712
3-methyl-2-(3-phenylprop-2-enylamino)butanoic acid
CID 71827506
(2R)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490297
(2S)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490295

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enyl]amino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enyl]amino]pentanoic acid (CID 122037396) is (2R)-4-methyl-2-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enyl]amino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enyl]amino]pentanoic acid is CC(C)C[C@@H](NC/C=C/c1ccc(OCc2ccccc2)cc1)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enyl]amino]pentanoic acid?
The InChIKey is QMMNNJYNLJMFEZ-VHTFYLNKSA-N. The full InChI is InChI=1S/C22H27NO3/c1-17(2)15-21(22(24)25)23-14-6-9-18-10-12-20(13-11-18)26-16-19-7-4-3-5-8-19/h3-13,17,21,23H,14-16H2,1-2H3,(H,24,25)/b9-6+/t21-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enyl]amino]pentanoic acid?
(2R)-4-methyl-2-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enyl]amino]pentanoic acid has a molecular weight of 353.46 g/mol, XLogP of 4.37, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enyl]amino]pentanoic acid is sourced from PubChem (CID 122037396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).