2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid

C14H19NO2 — CID 43652090

IUPAC2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid
SMILESCC(CNC1CCCc2ccccc21)C(=O)O
InChIInChI=1S/C14H19NO2/c1-10(14(16)17)9-15-13-8-4-6-11-5-2-3-7-12(11)13/h2-3,5,7,10,13,15H,4,6,8-9H2,1H3,(H,16,17)
InChIKeyCNPWGRWKNWOVPZ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.37
Rot. Bonds4

About 2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid

2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid (PubChem CID 43652090) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid
PubChem CID43652090
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid
SMILESCC(CNC1CCCc2ccccc21)C(=O)O
InChIInChI=1S/C14H19NO2/c1-10(14(16)17)9-15-13-8-4-6-11-5-2-3-7-12(11)13/h2-3,5,7,10,13,15H,4,6,8-9H2,1H3,(H,16,17)
InChIKeyCNPWGRWKNWOVPZ-UHFFFAOYSA-N
XLogP2.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanoic acid
CID 43652106
N-(3-methyl-2-propan-2-ylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 102904359
3-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol
CID 66091347
3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanamide
CID 43652107
2-methyl-3-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid
CID 62674806
2-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)butanoic acid
CID 80541261
2-methyl-3-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 79196084
2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanoic acid
CID 65054889
3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid
CID 43087276
3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanoic acid
CID 43652089
N'-(1,2,3,4-tetrahydronaphthalen-1-yl)ethane-1,2-diamine
CID 60888348
methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate
CID 19794096

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid?
The IUPAC name of 2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid (CID 43652090) is 2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid.
What is the SMILES notation for 2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid?
The canonical SMILES for 2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid is CC(CNC1CCCc2ccccc21)C(=O)O.
What is the InChIKey of 2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid?
The InChIKey is CNPWGRWKNWOVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10(14(16)17)9-15-13-8-4-6-11-5-2-3-7-12(11)13/h2-3,5,7,10,13,15H,4,6,8-9H2,1H3,(H,16,17).
What are the key properties of 2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid?
2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid has a molecular weight of 233.31 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid is sourced from PubChem (CID 43652090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).