methyl 3-[(3-methoxy-3-oxopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate

C14H25NO6 — CID 20751475

IUPACmethyl 3-[(3-methoxy-3-oxopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
SMILESCOC(=O)CCN(C(=O)OC(C)(C)C)C(C)CC(=O)OC
InChIInChI=1S/C14H25NO6/c1-10(9-12(17)20-6)15(8-7-11(16)19-5)13(18)21-14(2,3)4/h10H,7-9H2,1-6H3
InChIKeyBASUDBUVUYCGQM-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.74
Rot. Bonds6

About methyl 3-[(3-methoxy-3-oxopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate

methyl 3-[(3-methoxy-3-oxopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate (PubChem CID 20751475) has the molecular formula C14H25NO6 and a molecular weight of 303.36 g/mol. Its IUPAC name is methyl 3-[(3-methoxy-3-oxopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 3-[(3-methoxy-3-oxopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
PubChem CID20751475
Molecular FormulaC14H25NO6
Molecular Weight303.36 g/mol
Exact Mass303.17
IUPAC Namemethyl 3-[(3-methoxy-3-oxopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
SMILESCOC(=O)CCN(C(=O)OC(C)(C)C)C(C)CC(=O)OC
InChIInChI=1S/C14H25NO6/c1-10(9-12(17)20-6)15(8-7-11(16)19-5)13(18)21-14(2,3)4/h10H,7-9H2,1-6H3
InChIKeyBASUDBUVUYCGQM-UHFFFAOYSA-N
XLogP1.74
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze methyl 3-[(3-methoxy-3-oxopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-{[(Tert-butoxy)carbonyl](methyl)amino}butanoic acid
CID 19097327
3-(((Tert-butoxy)carbonyl)(propan-2-yl)amino)propanoic acid
CID 15408230
(3R)-3-(((tert-butoxy)carbonyl)(methyl)amino)butanoic acid
CID 22845904
(3S)-3-(((tert-butoxy)carbonyl)(methyl)amino)butanoic acid
CID 129384174
Methyl 3-{[(tert-butoxy)carbonyl](methyl)amino}-2-methylpropanoate
CID 61598767
Ethyl 3-[(3-ethoxy-3-oxopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,4-difluorobutanoate
CID 155731742
1-O-tert-butyl 3-O-methyl 3-fluoro-2-methylazetidine-1,3-dicarboxylate
CID 178087944
Methyl 3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 91480818
1-O-tert-butyl 2-O-methyl (2S,3S)-3-methylaziridine-1,2-dicarboxylate
CID 101055712
[Butan-2-yl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl acetate
CID 102253735
tert-butyl (3S)-3-[di(propan-2-yl)amino]butanoate
CID 134918916
Methyl 3-[(ethoxycarbonyl)(propan-2-yl)amino]-2-methylpropanoate
CID 243301

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-methoxy-3-oxopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate?
The IUPAC name of methyl 3-[(3-methoxy-3-oxopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate (CID 20751475) is methyl 3-[(3-methoxy-3-oxopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate.
What is the SMILES notation for methyl 3-[(3-methoxy-3-oxopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate?
The canonical SMILES for methyl 3-[(3-methoxy-3-oxopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate is COC(=O)CCN(C(=O)OC(C)(C)C)C(C)CC(=O)OC.
What is the InChIKey of methyl 3-[(3-methoxy-3-oxopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate?
The InChIKey is BASUDBUVUYCGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO6/c1-10(9-12(17)20-6)15(8-7-11(16)19-5)13(18)21-14(2,3)4/h10H,7-9H2,1-6H3.
What are the key properties of methyl 3-[(3-methoxy-3-oxopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate?
methyl 3-[(3-methoxy-3-oxopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate has a molecular weight of 303.36 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-methoxy-3-oxopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate is sourced from PubChem (CID 20751475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).