2-[cyclopropyl-(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]propanoic acid

C20H22N2O3 — CID 120519214

IUPAC2-[cyclopropyl-(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]propanoic acid
SMILESCc1ccc2nc(C3CC3)cc(C(=O)N(C3CC3)C(C)C(=O)O)c2c1
InChIInChI=1S/C20H22N2O3/c1-11-3-8-17-15(9-11)16(10-18(21-17)13-4-5-13)19(23)22(14-6-7-14)12(2)20(24)25/h3,8-10,12-14H,4-7H2,1-2H3,(H,24,25)
InChIKeyOUNVKAWCYUOHLC-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.50
Rot. Bonds5

About 2-[cyclopropyl-(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]propanoic acid

2-[cyclopropyl-(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]propanoic acid (PubChem CID 120519214) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[cyclopropyl-(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]propanoic acid
PubChem CID120519214
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name2-[cyclopropyl-(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]propanoic acid
SMILESCc1ccc2nc(C3CC3)cc(C(=O)N(C3CC3)C(C)C(=O)O)c2c1
InChIInChI=1S/C20H22N2O3/c1-11-3-8-17-15(9-11)16(10-18(21-17)13-4-5-13)19(23)22(14-6-7-14)12(2)20(24)25/h3,8-10,12-14H,4-7H2,1-2H3,(H,24,25)
InChIKeyOUNVKAWCYUOHLC-UHFFFAOYSA-N
XLogP3.50
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-2,6-dimethylquinoline-4-carboxamide
CID 2098697
1-[4-(2-Methylquinoline-4-carbonyl)piperazin-1-yl]ethanone
CID 2421843
2-(2-benzoyl-8-propan-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)acetic acid
CID 11516353
2-(2-benzoyl-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)acetic acid
CID 11595451
2-[8-methyl-2-(naphthalene-1-carbonyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]acetic acid
CID 68508048
2-ethyl-3,6-dimethyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide
CID 3184551
8-Methyl-2-phenyl-4-(piperidin-1-ylcarbonyl)quinoline
CID 4423867
2-methyl-N-(5-methylhexan-2-yl)quinoline-4-carboxamide
CID 4877911
(2-methylquinolin-4-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 9206325
2-{4-[(2,4-Dimethyl-quinolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid; hydrate
CID 14991332
Ethyl 4-(cyclopropylmethyl)-1-[(2-cyclopropylquinolin-4-yl)carbonyl]piperidine-4-carboxylate
CID 16190558
ethyl N-(1,2,3,4-tetrahydro-9-acridinylcarbonyl)glycinate
CID 2920016

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]propanoic acid (CID 120519214) is 2-[cyclopropyl-(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]propanoic acid is Cc1ccc2nc(C3CC3)cc(C(=O)N(C3CC3)C(C)C(=O)O)c2c1.
What is the InChIKey of 2-[cyclopropyl-(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]propanoic acid?
The InChIKey is OUNVKAWCYUOHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-11-3-8-17-15(9-11)16(10-18(21-17)13-4-5-13)19(23)22(14-6-7-14)12(2)20(24)25/h3,8-10,12-14H,4-7H2,1-2H3,(H,24,25).
What are the key properties of 2-[cyclopropyl-(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]propanoic acid?
2-[cyclopropyl-(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]propanoic acid has a molecular weight of 338.41 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 120519214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).