N-[(2S)-1-amino-1-oxopropan-2-yl]-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide

C15H22N2O4 — CID 169413200

IUPACN-[(2S)-1-amino-1-oxopropan-2-yl]-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide
SMILESCc1cc(CCC(C)C)oc(=O)c1C(=O)N[C@@H](C)C(N)=O
InChIInChI=1S/C15H22N2O4/c1-8(2)5-6-11-7-9(3)12(15(20)21-11)14(19)17-10(4)13(16)18/h7-8,10H,5-6H2,1-4H3,(H2,16,18)(H,17,19)/t10-/m0/s1
InChIKeyWCUNAPKRGQSYBO-JTQLQIEISA-N
MW294.35 g/mol
LogP1.14
Rot. Bonds6

About N-[(2S)-1-amino-1-oxopropan-2-yl]-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide

N-[(2S)-1-amino-1-oxopropan-2-yl]-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide (PubChem CID 169413200) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxopropan-2-yl]-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxopropan-2-yl]-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide
PubChem CID169413200
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-[(2S)-1-amino-1-oxopropan-2-yl]-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide
SMILESCc1cc(CCC(C)C)oc(=O)c1C(=O)N[C@@H](C)C(N)=O
InChIInChI=1S/C15H22N2O4/c1-8(2)5-6-11-7-9(3)12(15(20)21-11)14(19)17-10(4)13(16)18/h7-8,10H,5-6H2,1-4H3,(H2,16,18)(H,17,19)/t10-/m0/s1
InChIKeyWCUNAPKRGQSYBO-JTQLQIEISA-N
XLogP1.14
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide?
The IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide (CID 169413200) is N-[(2S)-1-amino-1-oxopropan-2-yl]-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxopropan-2-yl]-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxopropan-2-yl]-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide is Cc1cc(CCC(C)C)oc(=O)c1C(=O)N[C@@H](C)C(N)=O.
What is the InChIKey of N-[(2S)-1-amino-1-oxopropan-2-yl]-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide?
The InChIKey is WCUNAPKRGQSYBO-JTQLQIEISA-N. The full InChI is InChI=1S/C15H22N2O4/c1-8(2)5-6-11-7-9(3)12(15(20)21-11)14(19)17-10(4)13(16)18/h7-8,10H,5-6H2,1-4H3,(H2,16,18)(H,17,19)/t10-/m0/s1.
What are the key properties of N-[(2S)-1-amino-1-oxopropan-2-yl]-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide?
N-[(2S)-1-amino-1-oxopropan-2-yl]-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxopropan-2-yl]-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide is sourced from PubChem (CID 169413200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).