(2R)-3-(naphthalen-2-ylmethylsulfanyl)-2-(pyridine-2-carbonylamino)propanoic acid

C20H18N2O3S — CID 70694207

IUPAC(2R)-3-(naphthalen-2-ylmethylsulfanyl)-2-(pyridine-2-carbonylamino)propanoic acid
SMILESO=C(N[C@@H](CSCc1ccc2ccccc2c1)C(=O)O)c1ccccn1
InChIInChI=1S/C20H18N2O3S/c23-19(17-7-3-4-10-21-17)22-18(20(24)25)13-26-12-14-8-9-15-5-1-2-6-16(15)11-14/h1-11,18H,12-13H2,(H,22,23)(H,24,25)/t18-/m0/s1
InChIKeyFVOKHGLVKLJETQ-SFHVURJKSA-N
MW366.44 g/mol
LogP3.35
Rot. Bonds7

About (2R)-3-(naphthalen-2-ylmethylsulfanyl)-2-(pyridine-2-carbonylamino)propanoic acid

(2R)-3-(naphthalen-2-ylmethylsulfanyl)-2-(pyridine-2-carbonylamino)propanoic acid (PubChem CID 70694207) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is (2R)-3-(naphthalen-2-ylmethylsulfanyl)-2-(pyridine-2-carbonylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-3-(naphthalen-2-ylmethylsulfanyl)-2-(pyridine-2-carbonylamino)propanoic acid
PubChem CID70694207
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Name(2R)-3-(naphthalen-2-ylmethylsulfanyl)-2-(pyridine-2-carbonylamino)propanoic acid
SMILESO=C(N[C@@H](CSCc1ccc2ccccc2c1)C(=O)O)c1ccccn1
InChIInChI=1S/C20H18N2O3S/c23-19(17-7-3-4-10-21-17)22-18(20(24)25)13-26-12-14-8-9-15-5-1-2-6-16(15)11-14/h1-11,18H,12-13H2,(H,22,23)(H,24,25)/t18-/m0/s1
InChIKeyFVOKHGLVKLJETQ-SFHVURJKSA-N
XLogP3.35
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(3-hydroxypyridine-2-carbonyl)amino]-3-(naphthalen-2-ylmethylsulfanyl)propanoic acid
CID 70689994
2-acetamido-3-[(4-pyridin-2-ylphenyl)methylsulfanyl]propanoic acid
CID 139600522
5-methoxy-5-oxo-2-(pyridine-2-carbonylamino)pentanoic acid
CID 82786131
(2S)-3-[(4-methylphenyl)methylsulfanyl]-2-[[(2S)-2-(naphthalen-2-ylmethyl)-3-sulfanylpropanoyl]amino]propanoic acid
CID 10072629
N-[(1R)-1-naphthalen-2-ylethyl]pyridine-2-carboxamide
CID 26084577
(2S)-2-benzamido-3-naphthalen-2-ylpropanoic acid
CID 18652421
(2R)-2-[(2-phenylacetyl)amino]-3-pyridin-2-ylsulfanylpropanoic acid
CID 149150673
N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)pyridine-2-carboxamide
CID 51102650
3-naphthalen-2-yl-2-[(2-phenylacetyl)amino]propanoic acid
CID 139753355
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(pyridin-2-ylmethylsulfanyl)propanoic acid
CID 66972690
2-[4-methyl-2-(pyridine-2-carbonylamino)pentyl]sulfanylacetic acid
CID 23316646
(2S)-3-(acetamidomethylsulfanyl)-2-[(5-naphthalen-2-yl-1-phenylpyrazole-3-carbonyl)amino]propanoic acid
CID 70338180

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(naphthalen-2-ylmethylsulfanyl)-2-(pyridine-2-carbonylamino)propanoic acid?
The IUPAC name of (2R)-3-(naphthalen-2-ylmethylsulfanyl)-2-(pyridine-2-carbonylamino)propanoic acid (CID 70694207) is (2R)-3-(naphthalen-2-ylmethylsulfanyl)-2-(pyridine-2-carbonylamino)propanoic acid.
What is the SMILES notation for (2R)-3-(naphthalen-2-ylmethylsulfanyl)-2-(pyridine-2-carbonylamino)propanoic acid?
The canonical SMILES for (2R)-3-(naphthalen-2-ylmethylsulfanyl)-2-(pyridine-2-carbonylamino)propanoic acid is O=C(N[C@@H](CSCc1ccc2ccccc2c1)C(=O)O)c1ccccn1.
What is the InChIKey of (2R)-3-(naphthalen-2-ylmethylsulfanyl)-2-(pyridine-2-carbonylamino)propanoic acid?
The InChIKey is FVOKHGLVKLJETQ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H18N2O3S/c23-19(17-7-3-4-10-21-17)22-18(20(24)25)13-26-12-14-8-9-15-5-1-2-6-16(15)11-14/h1-11,18H,12-13H2,(H,22,23)(H,24,25)/t18-/m0/s1.
What are the key properties of (2R)-3-(naphthalen-2-ylmethylsulfanyl)-2-(pyridine-2-carbonylamino)propanoic acid?
(2R)-3-(naphthalen-2-ylmethylsulfanyl)-2-(pyridine-2-carbonylamino)propanoic acid has a molecular weight of 366.44 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(naphthalen-2-ylmethylsulfanyl)-2-(pyridine-2-carbonylamino)propanoic acid is sourced from PubChem (CID 70694207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).