methyl 4-(methylamino)-5-oxo-5-(2-oxopropylamino)pentanoate

C10H18N2O4 — CID 154660465

IUPACmethyl 4-(methylamino)-5-oxo-5-(2-oxopropylamino)pentanoate
SMILESCNC(CCC(=O)OC)C(=O)NCC(C)=O
InChIInChI=1S/C10H18N2O4/c1-7(13)6-12-10(15)8(11-2)4-5-9(14)16-3/h8,11H,4-6H2,1-3H3,(H,12,15)
InChIKeyGVYZZLGEYDBURR-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.77
Rot. Bonds7

About methyl 4-(methylamino)-5-oxo-5-(2-oxopropylamino)pentanoate

methyl 4-(methylamino)-5-oxo-5-(2-oxopropylamino)pentanoate (PubChem CID 154660465) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is methyl 4-(methylamino)-5-oxo-5-(2-oxopropylamino)pentanoate.

Molecular Properties

Compound Namemethyl 4-(methylamino)-5-oxo-5-(2-oxopropylamino)pentanoate
PubChem CID154660465
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Namemethyl 4-(methylamino)-5-oxo-5-(2-oxopropylamino)pentanoate
SMILESCNC(CCC(=O)OC)C(=O)NCC(C)=O
InChIInChI=1S/C10H18N2O4/c1-7(13)6-12-10(15)8(11-2)4-5-9(14)16-3/h8,11H,4-6H2,1-3H3,(H,12,15)
InChIKeyGVYZZLGEYDBURR-UHFFFAOYSA-N
XLogP-0.77
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;methyl (4S)-4-(methylamino)-5-oxo-5-(2-oxopropylamino)pentanoate;S-methyl propanethioate
CID 154660462
(4R)-4-(methylamino)-5-oxo-5-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]pentanoic acid
CID 168928235
5-(2-acetamidoethylamino)-4-[[5-methoxy-2-(methylamino)-5-oxopentanoyl]amino]-5-oxopentanoic acid
CID 174184455
(2S)-5-methoxy-2-(methylamino)-5-oxopentanoic acid;hydrochloride
CID 122173679
methyl (4S)-4-methyl-5-(methylamino)-5-oxopentanoate;propane
CID 145216603
5-methoxy-2-methyl-5-oxopentanoic acid
CID 13192897
methyl 6-oxo-6-(2-oxopropylamino)hexanoate
CID 166976916
2-[2-(methylamino)pentanoylamino]acetic acid
CID 154969168
dimethyl 2-(4-oxopentanoylamino)pentanedioate
CID 54470181
dimethyl 4-methylheptanedioate
CID 521222
methyl 4-(methylamino)-5-oxo-5-(2,4,6-trimethylphenyl)pentanoate
CID 82348948
dimethyl 2-(sulfanylamino)pentanedioate
CID 143531965

Frequently Asked Questions

What is the IUPAC name of methyl 4-(methylamino)-5-oxo-5-(2-oxopropylamino)pentanoate?
The IUPAC name of methyl 4-(methylamino)-5-oxo-5-(2-oxopropylamino)pentanoate (CID 154660465) is methyl 4-(methylamino)-5-oxo-5-(2-oxopropylamino)pentanoate.
What is the SMILES notation for methyl 4-(methylamino)-5-oxo-5-(2-oxopropylamino)pentanoate?
The canonical SMILES for methyl 4-(methylamino)-5-oxo-5-(2-oxopropylamino)pentanoate is CNC(CCC(=O)OC)C(=O)NCC(C)=O.
What is the InChIKey of methyl 4-(methylamino)-5-oxo-5-(2-oxopropylamino)pentanoate?
The InChIKey is GVYZZLGEYDBURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-7(13)6-12-10(15)8(11-2)4-5-9(14)16-3/h8,11H,4-6H2,1-3H3,(H,12,15).
What are the key properties of methyl 4-(methylamino)-5-oxo-5-(2-oxopropylamino)pentanoate?
methyl 4-(methylamino)-5-oxo-5-(2-oxopropylamino)pentanoate has a molecular weight of 230.26 g/mol, XLogP of -0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(methylamino)-5-oxo-5-(2-oxopropylamino)pentanoate is sourced from PubChem (CID 154660465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).