(2S)-3-(5,6-dihydronaphthalen-2-yl)-2-formamidopropanoic acid

C14H15NO3 — CID 166490292

IUPAC(2S)-3-(5,6-dihydronaphthalen-2-yl)-2-formamidopropanoic acid
SMILESO=CN[C@@H](Cc1ccc2c(c1)C=CCC2)C(=O)O
InChIInChI=1S/C14H15NO3/c16-9-15-13(14(17)18)8-10-5-6-11-3-1-2-4-12(11)7-10/h2,4-7,9,13H,1,3,8H2,(H,15,16)(H,17,18)/t13-/m0/s1
InChIKeyFSABMQPJPPFKPA-ZDUSSCGKSA-N
MW245.28 g/mol
LogP1.39
Rot. Bonds5

About (2S)-3-(5,6-dihydronaphthalen-2-yl)-2-formamidopropanoic acid

(2S)-3-(5,6-dihydronaphthalen-2-yl)-2-formamidopropanoic acid (PubChem CID 166490292) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is (2S)-3-(5,6-dihydronaphthalen-2-yl)-2-formamidopropanoic acid.

Molecular Properties

Compound Name(2S)-3-(5,6-dihydronaphthalen-2-yl)-2-formamidopropanoic acid
PubChem CID166490292
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name(2S)-3-(5,6-dihydronaphthalen-2-yl)-2-formamidopropanoic acid
SMILESO=CN[C@@H](Cc1ccc2c(c1)C=CCC2)C(=O)O
InChIInChI=1S/C14H15NO3/c16-9-15-13(14(17)18)8-10-5-6-11-3-1-2-4-12(11)7-10/h2,4-7,9,13H,1,3,8H2,(H,15,16)(H,17,18)/t13-/m0/s1
InChIKeyFSABMQPJPPFKPA-ZDUSSCGKSA-N
XLogP1.39
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(5,6-dihydronaphthalen-2-yl)propan-2-ylamino]phenol
CID 145300151
3-(3,4-dihydroxyphenyl)-2-formamidopropanoic acid;2-methoxy-2-methylpropane
CID 142261383
2-formamido-3-phenylpropanoic acid;pyrazine
CID 174670017
2-formamido-3-(4-pyrrol-1-ylphenyl)propanoic acid
CID 23458844
N-cyclohexylcyclohexanamine;(2S)-2-formamido-3-(4-hydroxyphenyl)propanoic acid
CID 71352551
3-(3-chloro-5-fluorophenyl)-2-formamidopropanoic acid
CID 114453723
3-(1-ethylpyrrol-3-yl)-2-formamidopropanoic acid
CID 66399894
2-formamido-3-(1-propylpyrrol-3-yl)propanoic acid
CID 66399895
(E)-5-amino-N-[(2R)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-(5,6-dihydronaphthalen-2-yl)-1-oxopropan-2-yl]-N,5-dimethylhex-2-enamide
CID 163879834
(2R)-3-(2,3-dihydro-1H-inden-5-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid
CID 167734734
6-(2-methylpropyl)-1,2-dihydroanthracene
CID 141269384
1-(5,6-dihydronaphthalen-2-yl)ethanol
CID 131969381

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(5,6-dihydronaphthalen-2-yl)-2-formamidopropanoic acid?
The IUPAC name of (2S)-3-(5,6-dihydronaphthalen-2-yl)-2-formamidopropanoic acid (CID 166490292) is (2S)-3-(5,6-dihydronaphthalen-2-yl)-2-formamidopropanoic acid.
What is the SMILES notation for (2S)-3-(5,6-dihydronaphthalen-2-yl)-2-formamidopropanoic acid?
The canonical SMILES for (2S)-3-(5,6-dihydronaphthalen-2-yl)-2-formamidopropanoic acid is O=CN[C@@H](Cc1ccc2c(c1)C=CCC2)C(=O)O.
What is the InChIKey of (2S)-3-(5,6-dihydronaphthalen-2-yl)-2-formamidopropanoic acid?
The InChIKey is FSABMQPJPPFKPA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H15NO3/c16-9-15-13(14(17)18)8-10-5-6-11-3-1-2-4-12(11)7-10/h2,4-7,9,13H,1,3,8H2,(H,15,16)(H,17,18)/t13-/m0/s1.
What are the key properties of (2S)-3-(5,6-dihydronaphthalen-2-yl)-2-formamidopropanoic acid?
(2S)-3-(5,6-dihydronaphthalen-2-yl)-2-formamidopropanoic acid has a molecular weight of 245.28 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(5,6-dihydronaphthalen-2-yl)-2-formamidopropanoic acid is sourced from PubChem (CID 166490292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).