2-methyl-3-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid

C15H19NO3 — CID 62674806

IUPAC2-methyl-3-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid
SMILESCC(CNC(=O)C1CCCc2ccccc21)C(=O)O
InChIInChI=1S/C15H19NO3/c1-10(15(18)19)9-16-14(17)13-8-4-6-11-5-2-3-7-12(11)13/h2-3,5,7,10,13H,4,6,8-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyGRMMBFCZJNPFKU-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.94
Rot. Bonds4

About 2-methyl-3-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid

2-methyl-3-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid (PubChem CID 62674806) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-methyl-3-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid
PubChem CID62674806
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-methyl-3-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid
SMILESCC(CNC(=O)C1CCCc2ccccc21)C(=O)O
InChIInChI=1S/C15H19NO3/c1-10(15(18)19)9-16-14(17)13-8-4-6-11-5-2-3-7-12(11)13/h2-3,5,7,10,13H,4,6,8-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyGRMMBFCZJNPFKU-UHFFFAOYSA-N
XLogP1.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(methylamino)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 103512711
N-(3-bromo-2-methylpropyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 114313424
N-(2-hydroxybutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 113492689
N-(2-chloro-3-methoxypropyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 113272066
N-(2-chloropentyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 113496484
2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid
CID 43652090
(1R)-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 39977633
2-methyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)butanoic acid
CID 79792733
(2R)-3-[[(4S)-3,4-dihydro-2H-chromene-4-carbonyl]amino]-2-methylpropanoic acid
CID 124556466
N-(3,3-dimethyl-2-oxobutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 64991886
(2R)-3-[[(3S)-2,3-dihydro-1-benzothiophene-3-carbonyl]amino]-2-methylpropanoic acid
CID 124516129
N-(3-oxobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 64996915

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid?
The IUPAC name of 2-methyl-3-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid (CID 62674806) is 2-methyl-3-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid.
What is the SMILES notation for 2-methyl-3-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid?
The canonical SMILES for 2-methyl-3-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid is CC(CNC(=O)C1CCCc2ccccc21)C(=O)O.
What is the InChIKey of 2-methyl-3-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid?
The InChIKey is GRMMBFCZJNPFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10(15(18)19)9-16-14(17)13-8-4-6-11-5-2-3-7-12(11)13/h2-3,5,7,10,13H,4,6,8-9H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-methyl-3-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid?
2-methyl-3-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid has a molecular weight of 261.32 g/mol, XLogP of 1.94, 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-tetrahydronaphthalene-1-carbonylamino)propanoic acid is sourced from PubChem (CID 62674806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).