2-hydroxy-2-methyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid

C14H18N2O4 — CID 66177881

IUPAC2-hydroxy-2-methyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
SMILESCC(O)(CNC(=O)c1ccc2c(c1)CCCN2)C(=O)O
InChIInChI=1S/C14H18N2O4/c1-14(20,13(18)19)8-16-12(17)10-4-5-11-9(7-10)3-2-6-15-11/h4-5,7,15,20H,2-3,6,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyPRHGQYHXUBAHLP-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.61
Rot. Bonds4

About 2-hydroxy-2-methyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid

2-hydroxy-2-methyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid (PubChem CID 66177881) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
PubChem CID66177881
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-hydroxy-2-methyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
SMILESCC(O)(CNC(=O)c1ccc2c(c1)CCCN2)C(=O)O
InChIInChI=1S/C14H18N2O4/c1-14(20,13(18)19)8-16-12(17)10-4-5-11-9(7-10)3-2-6-15-11/h4-5,7,15,20H,2-3,6,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyPRHGQYHXUBAHLP-UHFFFAOYSA-N
XLogP0.61
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 115427981
N-(3-hydroxy-2,2-dimethylpropyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 115360312
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 106247626
N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 65106509
2-hydroxy-2-methyl-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid
CID 102710774
2-ethyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid
CID 79814554
N-[2-(dimethylamino)-2-methylpropyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 61247768
N-(2-methoxy-2-methylpropyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 104761350
N-(2-hydroxy-2,4-dimethylpentyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 66171666
N-[3-(methylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 55118334
N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 60926593
N-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 61284513

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid (CID 66177881) is 2-hydroxy-2-methyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid is CC(O)(CNC(=O)c1ccc2c(c1)CCCN2)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid?
The InChIKey is PRHGQYHXUBAHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-14(20,13(18)19)8-16-12(17)10-4-5-11-9(7-10)3-2-6-15-11/h4-5,7,15,20H,2-3,6,8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-hydroxy-2-methyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid?
2-hydroxy-2-methyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid has a molecular weight of 278.31 g/mol, XLogP of 0.61, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid is sourced from PubChem (CID 66177881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).