5-[(2-naphthalen-2-ylsulfanylacetyl)amino]pentanoic acid

C17H19NO3S — CID 119235112

IUPAC5-[(2-naphthalen-2-ylsulfanylacetyl)amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)CSc1ccc2ccccc2c1
InChIInChI=1S/C17H19NO3S/c19-16(18-10-4-3-7-17(20)21)12-22-15-9-8-13-5-1-2-6-14(13)11-15/h1-2,5-6,8-9,11H,3-4,7,10,12H2,(H,18,19)(H,20,21)
InChIKeyRZPDTENXVIFXLV-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.30
Rot. Bonds8

About 5-[(2-naphthalen-2-ylsulfanylacetyl)amino]pentanoic acid

5-[(2-naphthalen-2-ylsulfanylacetyl)amino]pentanoic acid (PubChem CID 119235112) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 5-[(2-naphthalen-2-ylsulfanylacetyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(2-naphthalen-2-ylsulfanylacetyl)amino]pentanoic acid
PubChem CID119235112
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name5-[(2-naphthalen-2-ylsulfanylacetyl)amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)CSc1ccc2ccccc2c1
InChIInChI=1S/C17H19NO3S/c19-16(18-10-4-3-7-17(20)21)12-22-15-9-8-13-5-1-2-6-14(13)11-15/h1-2,5-6,8-9,11H,3-4,7,10,12H2,(H,18,19)(H,20,21)
InChIKeyRZPDTENXVIFXLV-UHFFFAOYSA-N
XLogP3.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-[(2-phenylsulfanylacetyl)amino]heptanoic acid
CID 43240079
5-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]pentanoic acid
CID 62032850
5-[[2-(3-methoxyphenyl)sulfanylacetyl]amino]pentanoic acid
CID 119234511
6-[(2-pyridin-4-ylsulfanylacetyl)amino]hexanoic acid
CID 43352943
N-[2-(4-chlorophenyl)sulfanylethyl]-2-naphthalen-2-ylsulfanylacetamide
CID 7630379
N-[2-(4-chlorophenyl)ethyl]-2-naphthalen-2-ylsulfanylacetamide
CID 2098696
6-[[2-(2-methylphenyl)sulfanylacetyl]amino]hexanoic acid
CID 43091712
N-(3-bromopropyl)-2-phenylsulfanylacetamide
CID 69178614
4-[4-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylanilino]-4-oxobutanoic acid
CID 22786345
N-(2-morpholin-4-ylethyl)-2-naphthalen-2-ylsulfanylacetamide
CID 2634687
6-[[2-(4-aminophenyl)sulfanylacetyl]amino]-N-phenylhexanamide
CID 58756911
6-[[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfanylacetyl]amino]hexanoic acid
CID 69390099

Frequently Asked Questions

What is the IUPAC name of 5-[(2-naphthalen-2-ylsulfanylacetyl)amino]pentanoic acid?
The IUPAC name of 5-[(2-naphthalen-2-ylsulfanylacetyl)amino]pentanoic acid (CID 119235112) is 5-[(2-naphthalen-2-ylsulfanylacetyl)amino]pentanoic acid.
What is the SMILES notation for 5-[(2-naphthalen-2-ylsulfanylacetyl)amino]pentanoic acid?
The canonical SMILES for 5-[(2-naphthalen-2-ylsulfanylacetyl)amino]pentanoic acid is O=C(O)CCCCNC(=O)CSc1ccc2ccccc2c1.
What is the InChIKey of 5-[(2-naphthalen-2-ylsulfanylacetyl)amino]pentanoic acid?
The InChIKey is RZPDTENXVIFXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c19-16(18-10-4-3-7-17(20)21)12-22-15-9-8-13-5-1-2-6-14(13)11-15/h1-2,5-6,8-9,11H,3-4,7,10,12H2,(H,18,19)(H,20,21).
What are the key properties of 5-[(2-naphthalen-2-ylsulfanylacetyl)amino]pentanoic acid?
5-[(2-naphthalen-2-ylsulfanylacetyl)amino]pentanoic acid has a molecular weight of 317.41 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-naphthalen-2-ylsulfanylacetyl)amino]pentanoic acid is sourced from PubChem (CID 119235112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).