methyl (4S)-4-methyl-5-(methylamino)-5-oxopentanoate;propane

C11H23NO3 — CID 145216603

IUPACmethyl (4S)-4-methyl-5-(methylamino)-5-oxopentanoate;propane
SMILESCCC.CNC(=O)[C@@H](C)CCC(=O)OC
InChIInChI=1S/C8H15NO3.C3H8/c1-6(8(11)9-2)4-5-7(10)12-3;1-3-2/h6H,4-5H2,1-3H3,(H,9,11);3H2,1-2H3/t6-;/m0./s1
InChIKeyRKXZCCVKEDHNHC-RGMNGODLSA-N
MW217.31 g/mol
LogP1.74
Rot. Bonds4

About methyl (4S)-4-methyl-5-(methylamino)-5-oxopentanoate;propane

methyl (4S)-4-methyl-5-(methylamino)-5-oxopentanoate;propane (PubChem CID 145216603) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is methyl (4S)-4-methyl-5-(methylamino)-5-oxopentanoate;propane.

Molecular Properties

Compound Namemethyl (4S)-4-methyl-5-(methylamino)-5-oxopentanoate;propane
PubChem CID145216603
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Namemethyl (4S)-4-methyl-5-(methylamino)-5-oxopentanoate;propane
SMILESCCC.CNC(=O)[C@@H](C)CCC(=O)OC
InChIInChI=1S/C8H15NO3.C3H8/c1-6(8(11)9-2)4-5-7(10)12-3;1-3-2/h6H,4-5H2,1-3H3,(H,9,11);3H2,1-2H3/t6-;/m0./s1
InChIKeyRKXZCCVKEDHNHC-RGMNGODLSA-N
XLogP1.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-2-methyl-5-oxopentanoic acid
CID 13192897
4-methyl-5-(methylamino)-5-oxopentanoyl fluoride
CID 20695613
N,2-dimethylpentanediamide;ethane
CID 145111022
dimethyl 4-methylheptanedioate
CID 521222
(2S)-5-methoxy-2-(methylamino)-5-oxopentanoic acid;hydrochloride
CID 122173679
2-[(4-amino-2-methylbutanoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82787220
methyl 4-(methylamino)-5-oxo-5-(2-oxopropylamino)pentanoate
CID 154660465
(3-methoxy-3-oxopropyl)-trimethylphosphanium
CID 87216267
3-[2-[2-[2-[2-[2-[2-[[(2S)-5-methoxy-2-methyl-5-oxopentanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 170596914
dimethyl 4,9-dimethyldodecanedioate
CID 102494316
methyl (4S)-5-hydroxy-4-methylpentanoate
CID 162445793
dimethyl 2-(sulfanylamino)pentanedioate
CID 143531965

Frequently Asked Questions

What is the IUPAC name of methyl (4S)-4-methyl-5-(methylamino)-5-oxopentanoate;propane?
The IUPAC name of methyl (4S)-4-methyl-5-(methylamino)-5-oxopentanoate;propane (CID 145216603) is methyl (4S)-4-methyl-5-(methylamino)-5-oxopentanoate;propane.
What is the SMILES notation for methyl (4S)-4-methyl-5-(methylamino)-5-oxopentanoate;propane?
The canonical SMILES for methyl (4S)-4-methyl-5-(methylamino)-5-oxopentanoate;propane is CCC.CNC(=O)[C@@H](C)CCC(=O)OC.
What is the InChIKey of methyl (4S)-4-methyl-5-(methylamino)-5-oxopentanoate;propane?
The InChIKey is RKXZCCVKEDHNHC-RGMNGODLSA-N. The full InChI is InChI=1S/C8H15NO3.C3H8/c1-6(8(11)9-2)4-5-7(10)12-3;1-3-2/h6H,4-5H2,1-3H3,(H,9,11);3H2,1-2H3/t6-;/m0./s1.
What are the key properties of methyl (4S)-4-methyl-5-(methylamino)-5-oxopentanoate;propane?
methyl (4S)-4-methyl-5-(methylamino)-5-oxopentanoate;propane has a molecular weight of 217.31 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-4-methyl-5-(methylamino)-5-oxopentanoate;propane is sourced from PubChem (CID 145216603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).