2-methoxy-2-methylpropane;methyl 2-formamido-4-(3-hydroxypropoxy)butanoate

C14H29NO6 — CID 155693483

IUPAC2-methoxy-2-methylpropane;methyl 2-formamido-4-(3-hydroxypropoxy)butanoate
SMILESCOC(=O)C(CCOCCCO)NC=O.COC(C)(C)C
InChIInChI=1S/C9H17NO5.C5H12O/c1-14-9(13)8(10-7-12)3-6-15-5-2-4-11;1-5(2,3)6-4/h7-8,11H,2-6H2,1H3,(H,10,12);1-4H3
InChIKeyQSOUWQCEZGPOCG-UHFFFAOYSA-N
MW307.39 g/mol
LogP0.49
Rot. Bonds9

About 2-methoxy-2-methylpropane;methyl 2-formamido-4-(3-hydroxypropoxy)butanoate

2-methoxy-2-methylpropane;methyl 2-formamido-4-(3-hydroxypropoxy)butanoate (PubChem CID 155693483) has the molecular formula C14H29NO6 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-methoxy-2-methylpropane;methyl 2-formamido-4-(3-hydroxypropoxy)butanoate.

Molecular Properties

Compound Name2-methoxy-2-methylpropane;methyl 2-formamido-4-(3-hydroxypropoxy)butanoate
PubChem CID155693483
Molecular FormulaC14H29NO6
Molecular Weight307.39 g/mol
Exact Mass307.20
IUPAC Name2-methoxy-2-methylpropane;methyl 2-formamido-4-(3-hydroxypropoxy)butanoate
SMILESCOC(=O)C(CCOCCCO)NC=O.COC(C)(C)C
InChIInChI=1S/C9H17NO5.C5H12O/c1-14-9(13)8(10-7-12)3-6-15-5-2-4-11;1-5(2,3)6-4/h7-8,11H,2-6H2,1H3,(H,10,12);1-4H3
InChIKeyQSOUWQCEZGPOCG-UHFFFAOYSA-N
XLogP0.49
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-formamido-3-hydroxypropanoate
CID 20784540
methyl 4-(3-methoxy-3-methylbutoxy)-2-(methylamino)butanoate
CID 106666689
4-[3-(3-hydroxypropoxy)propoxy]-2-methylbutanoic acid
CID 58617990
methyl 2-(ethylamino)-4-(4-methylpentoxy)butanoate
CID 63041531
methyl 2-formamido-5-[(6-hydroxy-5-methylhexyl)amino]-5-oxopentanoate
CID 170956290
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-prop-2-enoxybutanoate
CID 175182678
methyl 4-hexoxy-2-(propan-2-ylamino)butanoate
CID 55145691
methyl (2S)-2-formamido-3,3-dimethylbutanoate
CID 89249938
methyl 4-(2-cyclopropylethoxy)-2-(ethylamino)butanoate
CID 106204341
2-methoxy-2-methylpropane;methyl 4-[cyclopropyl-[4-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-formamidobutanoate
CID 176962972
ethane;methyl 2-formamido-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoate
CID 143275907
methyl (2R)-2-amino-6-hydroxyhexanoate
CID 129365766

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methylpropane;methyl 2-formamido-4-(3-hydroxypropoxy)butanoate?
The IUPAC name of 2-methoxy-2-methylpropane;methyl 2-formamido-4-(3-hydroxypropoxy)butanoate (CID 155693483) is 2-methoxy-2-methylpropane;methyl 2-formamido-4-(3-hydroxypropoxy)butanoate.
What is the SMILES notation for 2-methoxy-2-methylpropane;methyl 2-formamido-4-(3-hydroxypropoxy)butanoate?
The canonical SMILES for 2-methoxy-2-methylpropane;methyl 2-formamido-4-(3-hydroxypropoxy)butanoate is COC(=O)C(CCOCCCO)NC=O.COC(C)(C)C.
What is the InChIKey of 2-methoxy-2-methylpropane;methyl 2-formamido-4-(3-hydroxypropoxy)butanoate?
The InChIKey is QSOUWQCEZGPOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5.C5H12O/c1-14-9(13)8(10-7-12)3-6-15-5-2-4-11;1-5(2,3)6-4/h7-8,11H,2-6H2,1H3,(H,10,12);1-4H3.
What are the key properties of 2-methoxy-2-methylpropane;methyl 2-formamido-4-(3-hydroxypropoxy)butanoate?
2-methoxy-2-methylpropane;methyl 2-formamido-4-(3-hydroxypropoxy)butanoate has a molecular weight of 307.39 g/mol, XLogP of 0.49, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methylpropane;methyl 2-formamido-4-(3-hydroxypropoxy)butanoate is sourced from PubChem (CID 155693483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).