methyl 2-[[3-[(1-methoxy-1-oxopropan-2-yl)amino]-2,2-dimethyl-3-oxopropanoyl]amino]butanoate

C14H24N2O6 — CID 123166655

IUPACmethyl 2-[[3-[(1-methoxy-1-oxopropan-2-yl)amino]-2,2-dimethyl-3-oxopropanoyl]amino]butanoate
SMILESCCC(NC(=O)C(C)(C)C(=O)NC(C)C(=O)OC)C(=O)OC
InChIInChI=1S/C14H24N2O6/c1-7-9(11(18)22-6)16-13(20)14(3,4)12(19)15-8(2)10(17)21-5/h8-9H,7H2,1-6H3,(H,15,19)(H,16,20)
InChIKeySIVZOQIEVOMBSQ-UHFFFAOYSA-N
MW316.35 g/mol
LogP-0.24
Rot. Bonds7

About methyl 2-[[3-[(1-methoxy-1-oxopropan-2-yl)amino]-2,2-dimethyl-3-oxopropanoyl]amino]butanoate

methyl 2-[[3-[(1-methoxy-1-oxopropan-2-yl)amino]-2,2-dimethyl-3-oxopropanoyl]amino]butanoate (PubChem CID 123166655) has the molecular formula C14H24N2O6 and a molecular weight of 316.35 g/mol. Its IUPAC name is methyl 2-[[3-[(1-methoxy-1-oxopropan-2-yl)amino]-2,2-dimethyl-3-oxopropanoyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 2-[[3-[(1-methoxy-1-oxopropan-2-yl)amino]-2,2-dimethyl-3-oxopropanoyl]amino]butanoate
PubChem CID123166655
Molecular FormulaC14H24N2O6
Molecular Weight316.35 g/mol
Exact Mass316.16
IUPAC Namemethyl 2-[[3-[(1-methoxy-1-oxopropan-2-yl)amino]-2,2-dimethyl-3-oxopropanoyl]amino]butanoate
SMILESCCC(NC(=O)C(C)(C)C(=O)NC(C)C(=O)OC)C(=O)OC
InChIInChI=1S/C14H24N2O6/c1-7-9(11(18)22-6)16-13(20)14(3,4)12(19)15-8(2)10(17)21-5/h8-9H,7H2,1-6H3,(H,15,19)(H,16,20)
InChIKeySIVZOQIEVOMBSQ-UHFFFAOYSA-N
XLogP-0.24
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 2-[[3-[(1-methoxy-1-oxopropan-2-yl)amino]-2,2-dimethyl-3-oxopropanoyl]amino]butanoate with MolForge

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Related Compounds

methyl (2S)-2-(2,2-dimethylpropanoylamino)propanoate
CID 7024878
methyl (2S)-2-[(2-amino-2-methylbutanoyl)amino]propanoate
CID 79797109
methyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]propanoate
CID 61265011
methyl (2S)-2-acetamidobutanoate
CID 11084154
methyl (2S)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoylamino]propanoate
CID 86588879
methyl 2-(3,3-dimethylbutan-2-ylamino)butanoate
CID 104827622
methyl 2-[(2-amino-3-methylpentanoyl)amino]butanoate
CID 119709055
methyl 2-[[(2S)-2,4-dimethylpentanoyl]amino]butanoate
CID 170397026
methyl 2-[(1-deuterio-2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 141391128
methyl 2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]butanoate
CID 114094136
methyl 2-(2,2,3-trimethylbutylamino)butanoate
CID 107302680
methyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]-4-methylpentanoate
CID 103954730

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-[(1-methoxy-1-oxopropan-2-yl)amino]-2,2-dimethyl-3-oxopropanoyl]amino]butanoate?
The IUPAC name of methyl 2-[[3-[(1-methoxy-1-oxopropan-2-yl)amino]-2,2-dimethyl-3-oxopropanoyl]amino]butanoate (CID 123166655) is methyl 2-[[3-[(1-methoxy-1-oxopropan-2-yl)amino]-2,2-dimethyl-3-oxopropanoyl]amino]butanoate.
What is the SMILES notation for methyl 2-[[3-[(1-methoxy-1-oxopropan-2-yl)amino]-2,2-dimethyl-3-oxopropanoyl]amino]butanoate?
The canonical SMILES for methyl 2-[[3-[(1-methoxy-1-oxopropan-2-yl)amino]-2,2-dimethyl-3-oxopropanoyl]amino]butanoate is CCC(NC(=O)C(C)(C)C(=O)NC(C)C(=O)OC)C(=O)OC.
What is the InChIKey of methyl 2-[[3-[(1-methoxy-1-oxopropan-2-yl)amino]-2,2-dimethyl-3-oxopropanoyl]amino]butanoate?
The InChIKey is SIVZOQIEVOMBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O6/c1-7-9(11(18)22-6)16-13(20)14(3,4)12(19)15-8(2)10(17)21-5/h8-9H,7H2,1-6H3,(H,15,19)(H,16,20).
What are the key properties of methyl 2-[[3-[(1-methoxy-1-oxopropan-2-yl)amino]-2,2-dimethyl-3-oxopropanoyl]amino]butanoate?
methyl 2-[[3-[(1-methoxy-1-oxopropan-2-yl)amino]-2,2-dimethyl-3-oxopropanoyl]amino]butanoate has a molecular weight of 316.35 g/mol, XLogP of -0.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-[(1-methoxy-1-oxopropan-2-yl)amino]-2,2-dimethyl-3-oxopropanoyl]amino]butanoate is sourced from PubChem (CID 123166655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).