cis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]cyclobutane-1-carboxamide

C17H23N3O3 — CID 166355069

IUPACcis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]cyclobutane-1-carboxamide
SMILESCC1(C)[C@@H](O)C[C@]1(N)C(=O)NCC1CC(=O)Nc2ccccc21
InChIInChI=1S/C17H23N3O3/c1-16(2)13(21)8-17(16,18)15(23)19-9-10-7-14(22)20-12-6-4-3-5-11(10)12/h3-6,10,13,21H,7-9,18H2,1-2H3,(H,19,23)(H,20,22)/t10?,13-,17-/m0/s1
InChIKeyRAXCXYQZHQESLP-GZYVMFTFSA-N
MW317.39 g/mol
LogP0.72
Rot. Bonds3

About cis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]cyclobutane-1-carboxamide

cis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]cyclobutane-1-carboxamide (PubChem CID 166355069) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is cis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]cyclobutane-1-carboxamide
PubChem CID166355069
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Namecis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]cyclobutane-1-carboxamide
SMILESCC1(C)[C@@H](O)C[C@]1(N)C(=O)NCC1CC(=O)Nc2ccccc21
InChIInChI=1S/C17H23N3O3/c1-16(2)13(21)8-17(16,18)15(23)19-9-10-7-14(22)20-12-6-4-3-5-11(10)12/h3-6,10,13,21H,7-9,18H2,1-2H3,(H,19,23)(H,20,22)/t10?,13-,17-/m0/s1
InChIKeyRAXCXYQZHQESLP-GZYVMFTFSA-N
XLogP0.72
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]cyclobutane-1-carboxamide (CID 166355069) is cis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for cis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]cyclobutane-1-carboxamide is CC1(C)[C@@H](O)C[C@]1(N)C(=O)NCC1CC(=O)Nc2ccccc21.
What is the InChIKey of cis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]cyclobutane-1-carboxamide?
The InChIKey is RAXCXYQZHQESLP-GZYVMFTFSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-16(2)13(21)8-17(16,18)15(23)19-9-10-7-14(22)20-12-6-4-3-5-11(10)12/h3-6,10,13,21H,7-9,18H2,1-2H3,(H,19,23)(H,20,22)/t10?,13-,17-/m0/s1.
What are the key properties of cis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]cyclobutane-1-carboxamide?
cis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]cyclobutane-1-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 0.72, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 166355069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).