methyl 3-[methyl(propan-2-yl)amino]-3-oxopropanoate

C8H15NO3 — CID 115174190

IUPACmethyl 3-[methyl(propan-2-yl)amino]-3-oxopropanoate
SMILESCOC(=O)CC(=O)N(C)C(C)C
InChIInChI=1S/C8H15NO3/c1-6(2)9(3)7(10)5-8(11)12-4/h6H,5H2,1-4H3
InChIKeyXLZGXRIRRZMJII-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.42
Rot. Bonds3

About methyl 3-[methyl(propan-2-yl)amino]-3-oxopropanoate

methyl 3-[methyl(propan-2-yl)amino]-3-oxopropanoate (PubChem CID 115174190) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl 3-[methyl(propan-2-yl)amino]-3-oxopropanoate.

Molecular Properties

Compound Namemethyl 3-[methyl(propan-2-yl)amino]-3-oxopropanoate
PubChem CID115174190
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl 3-[methyl(propan-2-yl)amino]-3-oxopropanoate
SMILESCOC(=O)CC(=O)N(C)C(C)C
InChIInChI=1S/C8H15NO3/c1-6(2)9(3)7(10)5-8(11)12-4/h6H,5H2,1-4H3
InChIKeyXLZGXRIRRZMJII-UHFFFAOYSA-N
XLogP0.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-methyl-N-propan-2-ylacetamide
CID 8899730
methyl 2-[methyl(propan-2-ylsulfonyl)amino]acetate
CID 60865310
N-methyl-2-[(2-methylpropan-2-yl)oxyamino]-N-propan-2-ylacetamide
CID 82723226
methyl 2-[2-hydroxypropyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62955024
methyl 2-[1-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetate
CID 107777860
methyl 2-[1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidin-2-yl]acetate
CID 62027896
2-[bis(2-methoxyethyl)amino]-N-methyl-N-propan-2-ylacetamide
CID 86908702
methyl 3,4-dimethylpentanoate
CID 554058
methyl 3-[2-aminoethyl(methyl)amino]-3-oxopropanoate
CID 117126525
N,N-dimethylmethanamine;methyl 3-hydroxybutanoate
CID 174690053
3-amino-N-methyl-N-propan-2-ylpropanamide
CID 16783725
methyl 4-methyl-2-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]pentanoate
CID 54940277

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl(propan-2-yl)amino]-3-oxopropanoate?
The IUPAC name of methyl 3-[methyl(propan-2-yl)amino]-3-oxopropanoate (CID 115174190) is methyl 3-[methyl(propan-2-yl)amino]-3-oxopropanoate.
What is the SMILES notation for methyl 3-[methyl(propan-2-yl)amino]-3-oxopropanoate?
The canonical SMILES for methyl 3-[methyl(propan-2-yl)amino]-3-oxopropanoate is COC(=O)CC(=O)N(C)C(C)C.
What is the InChIKey of methyl 3-[methyl(propan-2-yl)amino]-3-oxopropanoate?
The InChIKey is XLZGXRIRRZMJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-6(2)9(3)7(10)5-8(11)12-4/h6H,5H2,1-4H3.
What are the key properties of methyl 3-[methyl(propan-2-yl)amino]-3-oxopropanoate?
methyl 3-[methyl(propan-2-yl)amino]-3-oxopropanoate has a molecular weight of 173.21 g/mol, XLogP of 0.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl(propan-2-yl)amino]-3-oxopropanoate is sourced from PubChem (CID 115174190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).