5-[(2-methoxy-2-methylpropyl)amino]-5-oxopentanoic acid

C10H19NO4 — CID 104573930

IUPAC5-[(2-methoxy-2-methylpropyl)amino]-5-oxopentanoic acid
SMILESCOC(C)(C)CNC(=O)CCCC(=O)O
InChIInChI=1S/C10H19NO4/c1-10(2,15-3)7-11-8(12)5-4-6-9(13)14/h4-7H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyHHVOCEJOFZEOPS-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.78
Rot. Bonds7

About 5-[(2-methoxy-2-methylpropyl)amino]-5-oxopentanoic acid

5-[(2-methoxy-2-methylpropyl)amino]-5-oxopentanoic acid (PubChem CID 104573930) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 5-[(2-methoxy-2-methylpropyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(2-methoxy-2-methylpropyl)amino]-5-oxopentanoic acid
PubChem CID104573930
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name5-[(2-methoxy-2-methylpropyl)amino]-5-oxopentanoic acid
SMILESCOC(C)(C)CNC(=O)CCCC(=O)O
InChIInChI=1S/C10H19NO4/c1-10(2,15-3)7-11-8(12)5-4-6-9(13)14/h4-7H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyHHVOCEJOFZEOPS-UHFFFAOYSA-N
XLogP0.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(2-methoxy-2-methylpropyl)acetamide
CID 104759825
4-[(2-ethoxy-2-methylpropyl)amino]-4-oxobutanoic acid
CID 114940625
6-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-6-oxohexanoic acid
CID 114167176
5-[[2-(tert-butylamino)-2-oxoethyl]amino]-5-oxopentanoic acid
CID 115356094
5-(methoxyamino)-5-oxopentanoic acid
CID 64974146
N-(2-methoxy-2-methylpropyl)-3-piperidin-4-ylpropanamide
CID 113343490
2-[1-[2-[(2-methoxy-2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 115696833
4-[(2-methoxy-2-methylpropyl)amino]pentanoic acid
CID 104759577
1-(2-methoxy-2-methylpropyl)-3-methylurea
CID 115660964
N-(2-methoxy-2-methylpropyl)-2-(propylamino)acetamide
CID 104761261
6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-6-oxohexanoic acid
CID 114518044
chloromethane;pentanedioic acid
CID 159659659

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxy-2-methylpropyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[(2-methoxy-2-methylpropyl)amino]-5-oxopentanoic acid (CID 104573930) is 5-[(2-methoxy-2-methylpropyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(2-methoxy-2-methylpropyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(2-methoxy-2-methylpropyl)amino]-5-oxopentanoic acid is COC(C)(C)CNC(=O)CCCC(=O)O.
What is the InChIKey of 5-[(2-methoxy-2-methylpropyl)amino]-5-oxopentanoic acid?
The InChIKey is HHVOCEJOFZEOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-10(2,15-3)7-11-8(12)5-4-6-9(13)14/h4-7H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 5-[(2-methoxy-2-methylpropyl)amino]-5-oxopentanoic acid?
5-[(2-methoxy-2-methylpropyl)amino]-5-oxopentanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxy-2-methylpropyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 104573930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).