(2R)-3-(3-methylphenyl)-2-(naphthalene-2-carbonylamino)propanoic acid

C21H19NO3 — CID 46884012

IUPAC(2R)-3-(3-methylphenyl)-2-(naphthalene-2-carbonylamino)propanoic acid
SMILESCc1cccc(C[C@@H](NC(=O)c2ccc3ccccc3c2)C(=O)O)c1
InChIInChI=1S/C21H19NO3/c1-14-5-4-6-15(11-14)12-19(21(24)25)22-20(23)18-10-9-16-7-2-3-8-17(16)13-18/h2-11,13,19H,12H2,1H3,(H,22,23)(H,24,25)/t19-/m1/s1
InChIKeyZDRUGIXKFVQOIJ-LJQANCHMSA-N
MW333.39 g/mol
LogP3.57
Rot. Bonds5

About (2R)-3-(3-methylphenyl)-2-(naphthalene-2-carbonylamino)propanoic acid

(2R)-3-(3-methylphenyl)-2-(naphthalene-2-carbonylamino)propanoic acid (PubChem CID 46884012) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is (2R)-3-(3-methylphenyl)-2-(naphthalene-2-carbonylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-3-(3-methylphenyl)-2-(naphthalene-2-carbonylamino)propanoic acid
PubChem CID46884012
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Name(2R)-3-(3-methylphenyl)-2-(naphthalene-2-carbonylamino)propanoic acid
SMILESCc1cccc(C[C@@H](NC(=O)c2ccc3ccccc3c2)C(=O)O)c1
InChIInChI=1S/C21H19NO3/c1-14-5-4-6-15(11-14)12-19(21(24)25)22-20(23)18-10-9-16-7-2-3-8-17(16)13-18/h2-11,13,19H,12H2,1H3,(H,22,23)(H,24,25)/t19-/m1/s1
InChIKeyZDRUGIXKFVQOIJ-LJQANCHMSA-N
XLogP3.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[6-[(3,5-dimethylphenyl)methoxy]naphthalene-2-carbonyl]amino]-3-phenylpropanoic acid
CID 58677437
(2S)-2-benzamido-3-naphthalen-2-ylpropanoic acid
CID 18652421
methyl 3-phenyl-2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]propanoate;3-phenyl-2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]propanoic acid
CID 160873206
3-naphthalen-2-yl-2-[(2-phenylacetyl)amino]propanoic acid
CID 139753355
2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]-3-(4-phenylphenyl)propanoic acid
CID 58677474
(2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoic acid
CID 919358
(2S)-2-(naphthalene-2-carbonylamino)pentanedioic acid
CID 54513086
N-[1-oxo-3-phenyl-1-(2-propan-2-ylidenehydrazinyl)propan-2-yl]naphthalene-2-carboxamide
CID 122529662
(2S)-3-(3-methylphenyl)-2-naphthalen-2-yloxypropanoic acid
CID 100525262
2-[[6-[(4-chlorophenyl)methoxy]naphthalene-2-carbonyl]amino]-3-phenylpropanoic acid
CID 58677412
2-[[6-[(4-bromophenyl)methoxy]naphthalene-2-carbonyl]amino]-3-phenylpropanoic acid
CID 58677460
(2S)-3-phenyl-2-[[3-(2-phenylethyl)benzoyl]amino]propanoic acid
CID 101236602

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(3-methylphenyl)-2-(naphthalene-2-carbonylamino)propanoic acid?
The IUPAC name of (2R)-3-(3-methylphenyl)-2-(naphthalene-2-carbonylamino)propanoic acid (CID 46884012) is (2R)-3-(3-methylphenyl)-2-(naphthalene-2-carbonylamino)propanoic acid.
What is the SMILES notation for (2R)-3-(3-methylphenyl)-2-(naphthalene-2-carbonylamino)propanoic acid?
The canonical SMILES for (2R)-3-(3-methylphenyl)-2-(naphthalene-2-carbonylamino)propanoic acid is Cc1cccc(C[C@@H](NC(=O)c2ccc3ccccc3c2)C(=O)O)c1.
What is the InChIKey of (2R)-3-(3-methylphenyl)-2-(naphthalene-2-carbonylamino)propanoic acid?
The InChIKey is ZDRUGIXKFVQOIJ-LJQANCHMSA-N. The full InChI is InChI=1S/C21H19NO3/c1-14-5-4-6-15(11-14)12-19(21(24)25)22-20(23)18-10-9-16-7-2-3-8-17(16)13-18/h2-11,13,19H,12H2,1H3,(H,22,23)(H,24,25)/t19-/m1/s1.
What are the key properties of (2R)-3-(3-methylphenyl)-2-(naphthalene-2-carbonylamino)propanoic acid?
(2R)-3-(3-methylphenyl)-2-(naphthalene-2-carbonylamino)propanoic acid has a molecular weight of 333.39 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(3-methylphenyl)-2-(naphthalene-2-carbonylamino)propanoic acid is sourced from PubChem (CID 46884012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).