methyl 2-[methyl(4-methylpentan-2-yl)amino]-2-oxoacetate

C10H19NO3 — CID 112617002

IUPACmethyl 2-[methyl(4-methylpentan-2-yl)amino]-2-oxoacetate
SMILESCOC(=O)C(=O)N(C)C(C)CC(C)C
InChIInChI=1S/C10H19NO3/c1-7(2)6-8(3)11(4)9(12)10(13)14-5/h7-8H,6H2,1-5H3
InChIKeyVLUIFHZIMISQBB-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.05
Rot. Bonds3

About methyl 2-[methyl(4-methylpentan-2-yl)amino]-2-oxoacetate

methyl 2-[methyl(4-methylpentan-2-yl)amino]-2-oxoacetate (PubChem CID 112617002) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 2-[methyl(4-methylpentan-2-yl)amino]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[methyl(4-methylpentan-2-yl)amino]-2-oxoacetate
PubChem CID112617002
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 2-[methyl(4-methylpentan-2-yl)amino]-2-oxoacetate
SMILESCOC(=O)C(=O)N(C)C(C)CC(C)C
InChIInChI=1S/C10H19NO3/c1-7(2)6-8(3)11(4)9(12)10(13)14-5/h7-8H,6H2,1-5H3
InChIKeyVLUIFHZIMISQBB-UHFFFAOYSA-N
XLogP1.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N,2-dimethyl-N-[(2R)-4-methylpentan-2-yl]propanamide
CID 153298886
methyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-oxoacetate
CID 112617368
2-chloro-N-methyl-N-[(2R)-4-methylpentan-2-yl]acetamide
CID 93344235
ethyl 2-[methyl(propan-2-yl)amino]-2-oxoacetate
CID 60893933
1-methyl-3-(3-methylbutyl)-1-[(2R)-4-methylpentan-2-yl]urea
CID 97014475
3-(2-ethoxyethyl)-1-methyl-1-(4-methylpentan-2-yl)urea
CID 71940713
(2R)-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]pentanoic acid
CID 107566606
(2S,3S)-3-methyl-2-[[2-[methyl(4-methylpentan-2-yl)amino]-2-oxoethyl]amino]pentanoic acid
CID 122100127
(2R)-3-methyl-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]butanoic acid
CID 79009702
2-[methoxycarbonyl(methyl)amino]-4-methylpentanoic acid
CID 10608215
methyl (2S)-2-[acetyl(methyl)amino]-4-methylpentanoate
CID 131852765
methyl 2-(ethylamino)-4-[methyl(4-methylpentan-2-yl)amino]butanoate
CID 63053083

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl(4-methylpentan-2-yl)amino]-2-oxoacetate?
The IUPAC name of methyl 2-[methyl(4-methylpentan-2-yl)amino]-2-oxoacetate (CID 112617002) is methyl 2-[methyl(4-methylpentan-2-yl)amino]-2-oxoacetate.
What is the SMILES notation for methyl 2-[methyl(4-methylpentan-2-yl)amino]-2-oxoacetate?
The canonical SMILES for methyl 2-[methyl(4-methylpentan-2-yl)amino]-2-oxoacetate is COC(=O)C(=O)N(C)C(C)CC(C)C.
What is the InChIKey of methyl 2-[methyl(4-methylpentan-2-yl)amino]-2-oxoacetate?
The InChIKey is VLUIFHZIMISQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7(2)6-8(3)11(4)9(12)10(13)14-5/h7-8H,6H2,1-5H3.
What are the key properties of methyl 2-[methyl(4-methylpentan-2-yl)amino]-2-oxoacetate?
methyl 2-[methyl(4-methylpentan-2-yl)amino]-2-oxoacetate has a molecular weight of 201.27 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl(4-methylpentan-2-yl)amino]-2-oxoacetate is sourced from PubChem (CID 112617002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).