propyl N-[(3S)-1-amino-5-methyl-2-oxohexan-3-yl]-N-methylcarbamate

C12H24N2O3 — CID 167226880

IUPACpropyl N-[(3S)-1-amino-5-methyl-2-oxohexan-3-yl]-N-methylcarbamate
SMILESCCCOC(=O)N(C)[C@@H](CC(C)C)C(=O)CN
InChIInChI=1S/C12H24N2O3/c1-5-6-17-12(16)14(4)10(7-9(2)3)11(15)8-13/h9-10H,5-8,13H2,1-4H3/t10-/m0/s1
InChIKeyJZKNSIRBLOIFRT-JTQLQIEISA-N
MW244.33 g/mol
LogP1.41
Rot. Bonds7

About propyl N-[(3S)-1-amino-5-methyl-2-oxohexan-3-yl]-N-methylcarbamate

propyl N-[(3S)-1-amino-5-methyl-2-oxohexan-3-yl]-N-methylcarbamate (PubChem CID 167226880) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is propyl N-[(3S)-1-amino-5-methyl-2-oxohexan-3-yl]-N-methylcarbamate.

Molecular Properties

Compound Namepropyl N-[(3S)-1-amino-5-methyl-2-oxohexan-3-yl]-N-methylcarbamate
PubChem CID167226880
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Namepropyl N-[(3S)-1-amino-5-methyl-2-oxohexan-3-yl]-N-methylcarbamate
SMILESCCCOC(=O)N(C)[C@@H](CC(C)C)C(=O)CN
InChIInChI=1S/C12H24N2O3/c1-5-6-17-12(16)14(4)10(7-9(2)3)11(15)8-13/h9-10H,5-8,13H2,1-4H3/t10-/m0/s1
InChIKeyJZKNSIRBLOIFRT-JTQLQIEISA-N
XLogP1.41
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

decyl 4-methyl-2-[methyl(propoxycarbonyl)amino]pentanoate
CID 91729750
butyl N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-N-methylcarbamate
CID 87389517
nonyl 2-[2-methoxyethoxycarbonyl(methyl)amino]-4-methylpentanoate
CID 91733215
pentadecyl (2S)-2-[3-chloropropoxycarbonyl(methyl)amino]-4-methylpentanoate
CID 91735657
pentadecyl (2S)-2-[but-3-ynoxycarbonyl(methyl)amino]-4-methylpentanoate
CID 91732236
propyl 2-[methyl-[2-[methyl-[2-[methyl(propoxycarbonyl)amino]propanoyl]amino]propanoyl]amino]propanoate
CID 91718896
propyl N-[(2R)-1-[2-hydroxyethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate
CID 168971437
4-methylpentyl 3-methyl-2-[methyl(propoxycarbonyl)amino]butanoate
CID 91726054
4-methyl-2-[methyl(2-trimethylsilyloxyethoxycarbonyl)amino]pentanoic acid
CID 175135536
(2S)-4-methyl-2-[methyl(2-trimethylsilyloxyethoxycarbonyl)amino]pentanoic acid
CID 175135533
propyl 2-[methyl(4-methylpentoxycarbonyl)amino]propanoate
CID 91718694
ethyl 2-[methyl-[2-[methyl-[2-[methyl(propoxycarbonyl)amino]propanoyl]amino]propanoyl]amino]propanoate
CID 91718895

Frequently Asked Questions

What is the IUPAC name of propyl N-[(3S)-1-amino-5-methyl-2-oxohexan-3-yl]-N-methylcarbamate?
The IUPAC name of propyl N-[(3S)-1-amino-5-methyl-2-oxohexan-3-yl]-N-methylcarbamate (CID 167226880) is propyl N-[(3S)-1-amino-5-methyl-2-oxohexan-3-yl]-N-methylcarbamate.
What is the SMILES notation for propyl N-[(3S)-1-amino-5-methyl-2-oxohexan-3-yl]-N-methylcarbamate?
The canonical SMILES for propyl N-[(3S)-1-amino-5-methyl-2-oxohexan-3-yl]-N-methylcarbamate is CCCOC(=O)N(C)[C@@H](CC(C)C)C(=O)CN.
What is the InChIKey of propyl N-[(3S)-1-amino-5-methyl-2-oxohexan-3-yl]-N-methylcarbamate?
The InChIKey is JZKNSIRBLOIFRT-JTQLQIEISA-N. The full InChI is InChI=1S/C12H24N2O3/c1-5-6-17-12(16)14(4)10(7-9(2)3)11(15)8-13/h9-10H,5-8,13H2,1-4H3/t10-/m0/s1.
What are the key properties of propyl N-[(3S)-1-amino-5-methyl-2-oxohexan-3-yl]-N-methylcarbamate?
propyl N-[(3S)-1-amino-5-methyl-2-oxohexan-3-yl]-N-methylcarbamate has a molecular weight of 244.33 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[(3S)-1-amino-5-methyl-2-oxohexan-3-yl]-N-methylcarbamate is sourced from PubChem (CID 167226880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).