3-formamido-3-(5,6,7,8-tetrahydronaphthalen-1-yl)propanoic acid

C14H17NO3 — CID 165121353

IUPAC3-formamido-3-(5,6,7,8-tetrahydronaphthalen-1-yl)propanoic acid
SMILESO=CNC(CC(=O)O)c1cccc2c1CCCC2
InChIInChI=1S/C14H17NO3/c16-9-15-13(8-14(17)18)12-7-3-5-10-4-1-2-6-11(10)12/h3,5,7,9,13H,1-2,4,6,8H2,(H,15,16)(H,17,18)
InChIKeyLNLZWZAOZTYOGS-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.83
Rot. Bonds5

About 3-formamido-3-(5,6,7,8-tetrahydronaphthalen-1-yl)propanoic acid

3-formamido-3-(5,6,7,8-tetrahydronaphthalen-1-yl)propanoic acid (PubChem CID 165121353) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-formamido-3-(5,6,7,8-tetrahydronaphthalen-1-yl)propanoic acid.

Molecular Properties

Compound Name3-formamido-3-(5,6,7,8-tetrahydronaphthalen-1-yl)propanoic acid
PubChem CID165121353
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name3-formamido-3-(5,6,7,8-tetrahydronaphthalen-1-yl)propanoic acid
SMILESO=CNC(CC(=O)O)c1cccc2c1CCCC2
InChIInChI=1S/C14H17NO3/c16-9-15-13(8-14(17)18)12-7-3-5-10-4-1-2-6-11(10)12/h3,5,7,9,13H,1-2,4,6,8H2,(H,15,16)(H,17,18)
InChIKeyLNLZWZAOZTYOGS-UHFFFAOYSA-N
XLogP1.83
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.83
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

3-(2,3-dihydro-1H-inden-4-yl)-3-formamidopropanoic acid;7-(3-piperidin-1-ylpropyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 165121202
(3R)-3-(2-cyclopropylphenyl)-3-formamidopropanoic acid
CID 79978313
(3R)-3-(2,6-dichlorophenyl)-3-formamidopropanoic acid
CID 78961885
(2R)-2-amino-2-(2,3-dihydro-1H-inden-4-yl)acetic acid
CID 130783768
3-(2,3-dihydro-1H-indene-4-carbonylamino)-3-thiophen-2-ylpropanoic acid
CID 167960254
(3S)-3-formamido-3-(3-methylfuran-2-yl)propanoic acid
CID 104866286
2-(2,3-dihydro-1H-inden-4-yl)acetic acid
CID 15212214
(3R)-3-(3-cyclopropylphenyl)-3-formamidopropanoic acid
CID 79984518
5-(difluoromethyl)-1,2,3,4-tetrahydronaphthalene
CID 159912774
(3R)-3-formamido-3-(3-methoxyphenyl)propanoic acid
CID 78961916
5-oxo-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pentanoic acid
CID 17435174
3-(2,3-dihydro-1-benzofuran-6-yl)-3-formamidopropanoic acid
CID 165121477

Frequently Asked Questions

What is the IUPAC name of 3-formamido-3-(5,6,7,8-tetrahydronaphthalen-1-yl)propanoic acid?
The IUPAC name of 3-formamido-3-(5,6,7,8-tetrahydronaphthalen-1-yl)propanoic acid (CID 165121353) is 3-formamido-3-(5,6,7,8-tetrahydronaphthalen-1-yl)propanoic acid.
What is the SMILES notation for 3-formamido-3-(5,6,7,8-tetrahydronaphthalen-1-yl)propanoic acid?
The canonical SMILES for 3-formamido-3-(5,6,7,8-tetrahydronaphthalen-1-yl)propanoic acid is O=CNC(CC(=O)O)c1cccc2c1CCCC2.
What is the InChIKey of 3-formamido-3-(5,6,7,8-tetrahydronaphthalen-1-yl)propanoic acid?
The InChIKey is LNLZWZAOZTYOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-9-15-13(8-14(17)18)12-7-3-5-10-4-1-2-6-11(10)12/h3,5,7,9,13H,1-2,4,6,8H2,(H,15,16)(H,17,18).
What are the key properties of 3-formamido-3-(5,6,7,8-tetrahydronaphthalen-1-yl)propanoic acid?
3-formamido-3-(5,6,7,8-tetrahydronaphthalen-1-yl)propanoic acid has a molecular weight of 247.29 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formamido-3-(5,6,7,8-tetrahydronaphthalen-1-yl)propanoic acid is sourced from PubChem (CID 165121353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).