methyl 2-(4-methoxybutanoylamino)acetate

C8H15NO4 — CID 112729446

IUPACmethyl 2-(4-methoxybutanoylamino)acetate
SMILESCOCCCC(=O)NCC(=O)OC
InChIInChI=1S/C8H15NO4/c1-12-5-3-4-7(10)9-6-8(11)13-2/h3-6H2,1-2H3,(H,9,10)
InChIKeyPPHDFSIPDWQFSX-UHFFFAOYSA-N
MW189.21 g/mol
LogP-0.30
Rot. Bonds6

About methyl 2-(4-methoxybutanoylamino)acetate

methyl 2-(4-methoxybutanoylamino)acetate (PubChem CID 112729446) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is methyl 2-(4-methoxybutanoylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(4-methoxybutanoylamino)acetate
PubChem CID112729446
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Namemethyl 2-(4-methoxybutanoylamino)acetate
SMILESCOCCCC(=O)NCC(=O)OC
InChIInChI=1S/C8H15NO4/c1-12-5-3-4-7(10)9-6-8(11)13-2/h3-6H2,1-2H3,(H,9,10)
InChIKeyPPHDFSIPDWQFSX-UHFFFAOYSA-N
XLogP-0.30
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[6-[(2-methoxy-2-oxoethyl)amino]-6-oxohexanoyl]amino]acetate
CID 3243567
tert-butyl 2-(12-methoxydodecanoylamino)acetate
CID 15432302
methyl 4-methoxybutanoate
CID 542317
methyl 2-[[2-(2-methoxyethoxy)acetyl]amino]acetate
CID 43431221
N-(cyanomethyl)-4-methoxybutanamide
CID 78989538
sodium;hydride;methyl 2-(dodecanoylamino)acetate
CID 175291448
methyl 5-(4-methoxybutylamino)-5-oxopentanoate
CID 87688310
methyl 2-(pent-4-enoylamino)acetate
CID 59153848
N-(3-amino-2,2-dimethylpropyl)-4-methoxybutanamide
CID 115365695
5-methoxy-N-(2-methoxyethyl)pentanamide
CID 58281484
tert-butyl 2-(3-methoxypropanoylamino)acetate
CID 173312753
N,N'-bis(2-methoxyethyl)hexanediamide
CID 2933923

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methoxybutanoylamino)acetate?
The IUPAC name of methyl 2-(4-methoxybutanoylamino)acetate (CID 112729446) is methyl 2-(4-methoxybutanoylamino)acetate.
What is the SMILES notation for methyl 2-(4-methoxybutanoylamino)acetate?
The canonical SMILES for methyl 2-(4-methoxybutanoylamino)acetate is COCCCC(=O)NCC(=O)OC.
What is the InChIKey of methyl 2-(4-methoxybutanoylamino)acetate?
The InChIKey is PPHDFSIPDWQFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-12-5-3-4-7(10)9-6-8(11)13-2/h3-6H2,1-2H3,(H,9,10).
What are the key properties of methyl 2-(4-methoxybutanoylamino)acetate?
methyl 2-(4-methoxybutanoylamino)acetate has a molecular weight of 189.21 g/mol, XLogP of -0.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methoxybutanoylamino)acetate is sourced from PubChem (CID 112729446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).