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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Related Compounds

N-[(2S)-1-amino-1-oxopropan-2-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide
CID 170507097
N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide
CID 169411291
4-methyl-6-(3-methylbutyl)-2-oxo-N-(4-oxo-1H-pyridin-2-yl)pyran-3-carboxamide
CID 170504710
4-methyl-6-(3-methylbutyl)-2-oxo-N-[(5-oxopyrrolidin-2-yl)methyl]pyran-3-carboxamide
CID 170512843
N-(6-methoxy-2-pyridinyl)-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide
CID 170506893
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
CID 170508998
1-[3-[[4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carbonyl]amino]propyl]piperidine-3-carboxamide
CID 170510655
methyl 1-[4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carbonyl]azetidine-3-carboxylate
CID 171387225
3-[(3aR,5S,6S,7aS)-5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl]-4-methyl-6-(3-methylbutyl)pyran-2-one
CID 170502797
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide
CID 170512389
4-methyl-6-(3-methylbutyl)-2-oxo-N-(2-pyridin-3-yloxypropyl)pyran-3-carboxamide
CID 169421708
N-(6-hydroxy-6-methylheptan-2-yl)-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
CID 169414908

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).