(2R)-3-methyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid

C15H20N2O3 — CID 79009724

IUPAC(2R)-3-methyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid
SMILESCC(C)[C@@H](NC(=O)c1ccc2c(c1)CCCN2)C(=O)O
InChIInChI=1S/C15H20N2O3/c1-9(2)13(15(19)20)17-14(18)11-5-6-12-10(8-11)4-3-7-16-12/h5-6,8-9,13,16H,3-4,7H2,1-2H3,(H,17,18)(H,19,20)/t13-/m1/s1
InChIKeyCDIUDGLUDRHWFD-CYBMUJFWSA-N
MW276.34 g/mol
LogP1.88
Rot. Bonds4

About (2R)-3-methyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid

(2R)-3-methyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid (PubChem CID 79009724) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (2R)-3-methyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid
PubChem CID79009724
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(2R)-3-methyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid
SMILESCC(C)[C@@H](NC(=O)c1ccc2c(c1)CCCN2)C(=O)O
InChIInChI=1S/C15H20N2O3/c1-9(2)13(15(19)20)17-14(18)11-5-6-12-10(8-11)4-3-7-16-12/h5-6,8-9,13,16H,3-4,7H2,1-2H3,(H,17,18)(H,19,20)/t13-/m1/s1
InChIKeyCDIUDGLUDRHWFD-CYBMUJFWSA-N
XLogP1.88
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 78967710
(2S)-2-(2,3-dihydro-1H-indole-5-carbonylamino)-3-methylpentanoic acid
CID 61174014
N-(6-methylheptan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 61252678
N-[(1S)-1-cyclohexylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 81389029
N-[(1S)-1-pyridin-4-ylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 81394978
4-hydroxy-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid
CID 61244599
3-methyl-2-(1,2,3,4-tetrahydroisoquinoline-6-carbonylamino)butanoic acid
CID 110489057
N-[(2S)-1-hydroxybutan-2-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 93083207
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 106161445
N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 106212712
1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride
CID 50988785
N-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 83015501

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid?
The IUPAC name of (2R)-3-methyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid (CID 79009724) is (2R)-3-methyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid is CC(C)[C@@H](NC(=O)c1ccc2c(c1)CCCN2)C(=O)O.
What is the InChIKey of (2R)-3-methyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid?
The InChIKey is CDIUDGLUDRHWFD-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-9(2)13(15(19)20)17-14(18)11-5-6-12-10(8-11)4-3-7-16-12/h5-6,8-9,13,16H,3-4,7H2,1-2H3,(H,17,18)(H,19,20)/t13-/m1/s1.
What are the key properties of (2R)-3-methyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid?
(2R)-3-methyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid has a molecular weight of 276.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid is sourced from PubChem (CID 79009724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).