[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate

C16H16N2O4 — CID 7507129

IUPAC[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
SMILESC[C@@H](OC(=O)c1cc(=O)c2ccccc2[nH]1)C(=O)NC1CC1
InChIInChI=1S/C16H16N2O4/c1-9(15(20)17-10-6-7-10)22-16(21)13-8-14(19)11-4-2-3-5-12(11)18-13/h2-5,8-10H,6-7H2,1H3,(H,17,20)(H,18,19)/t9-/m1/s1
InChIKeySRASVDXLIBNNKD-SECBINFHSA-N
MW300.31 g/mol
LogP1.35
Rot. Bonds4

About [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate

[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate (PubChem CID 7507129) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
PubChem CID7507129
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
SMILESC[C@@H](OC(=O)c1cc(=O)c2ccccc2[nH]1)C(=O)NC1CC1
InChIInChI=1S/C16H16N2O4/c1-9(15(20)17-10-6-7-10)22-16(21)13-8-14(19)11-4-2-3-5-12(11)18-13/h2-5,8-10H,6-7H2,1H3,(H,17,20)(H,18,19)/t9-/m1/s1
InChIKeySRASVDXLIBNNKD-SECBINFHSA-N
XLogP1.35
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504524
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CID 7504500
[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504448
[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504312
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
CID 7507662
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate
CID 7723076
[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504474
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 7761842
[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
CID 7507116
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate
CID 2630507
bis[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] benzene-1,3-dicarboxylate
CID 9016814
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 2630770

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate?
The IUPAC name of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate (CID 7507129) is [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate.
What is the SMILES notation for [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate?
The canonical SMILES for [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate is C[C@@H](OC(=O)c1cc(=O)c2ccccc2[nH]1)C(=O)NC1CC1.
What is the InChIKey of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate?
The InChIKey is SRASVDXLIBNNKD-SECBINFHSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-9(15(20)17-10-6-7-10)22-16(21)13-8-14(19)11-4-2-3-5-12(11)18-13/h2-5,8-10H,6-7H2,1H3,(H,17,20)(H,18,19)/t9-/m1/s1.
What are the key properties of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate?
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate has a molecular weight of 300.31 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate is sourced from PubChem (CID 7507129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).