methyl 2-(3-methoxypropanoylamino)-2-methylpentanoate

C11H21NO4 — CID 62591168

IUPACmethyl 2-(3-methoxypropanoylamino)-2-methylpentanoate
SMILESCCCC(C)(NC(=O)CCOC)C(=O)OC
InChIInChI=1S/C11H21NO4/c1-5-7-11(2,10(14)16-4)12-9(13)6-8-15-3/h5-8H2,1-4H3,(H,12,13)
InChIKeySEGPXQZZJLHGQI-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.87
Rot. Bonds7

About methyl 2-(3-methoxypropanoylamino)-2-methylpentanoate

methyl 2-(3-methoxypropanoylamino)-2-methylpentanoate (PubChem CID 62591168) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is methyl 2-(3-methoxypropanoylamino)-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-(3-methoxypropanoylamino)-2-methylpentanoate
PubChem CID62591168
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Namemethyl 2-(3-methoxypropanoylamino)-2-methylpentanoate
SMILESCCCC(C)(NC(=O)CCOC)C(=O)OC
InChIInChI=1S/C11H21NO4/c1-5-7-11(2,10(14)16-4)12-9(13)6-8-15-3/h5-8H2,1-4H3,(H,12,13)
InChIKeySEGPXQZZJLHGQI-UHFFFAOYSA-N
XLogP0.87
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methyl-2-[4-(methylamino)butanoylamino]pentanoate
CID 119729099
methyl 2-methyl-2-[(2-methylsulfanylacetyl)amino]pentanoate
CID 43431441
methyl 2-[(4-amino-3-methoxybutanoyl)amino]-2-methylpentanoate;hydrochloride
CID 120589059
methyl 2-[(2-methoxy-2-methylpropanoyl)amino]-2-methylpentanoate
CID 103021738
methyl 2-(ethylamino)-2-methylpentanoate
CID 60788198
methyl 2-(hydroxyamino)-2-methylpentanoate
CID 131859710
2-methyl-2-(3-propoxypropanoylamino)pentanoic acid
CID 55104107
methyl 2-methyl-2-(propylcarbamoylamino)pentanoate
CID 43624107
methyl 2-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoate
CID 43431502
methyl 2-methyl-2-(propan-2-ylcarbamoylamino)pentanoate
CID 43624086
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-2-methylpentanoate
CID 43423685
methyl (2S)-2-benzamido-2-methylpentanoate
CID 141268711

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-methoxypropanoylamino)-2-methylpentanoate?
The IUPAC name of methyl 2-(3-methoxypropanoylamino)-2-methylpentanoate (CID 62591168) is methyl 2-(3-methoxypropanoylamino)-2-methylpentanoate.
What is the SMILES notation for methyl 2-(3-methoxypropanoylamino)-2-methylpentanoate?
The canonical SMILES for methyl 2-(3-methoxypropanoylamino)-2-methylpentanoate is CCCC(C)(NC(=O)CCOC)C(=O)OC.
What is the InChIKey of methyl 2-(3-methoxypropanoylamino)-2-methylpentanoate?
The InChIKey is SEGPXQZZJLHGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-5-7-11(2,10(14)16-4)12-9(13)6-8-15-3/h5-8H2,1-4H3,(H,12,13).
What are the key properties of methyl 2-(3-methoxypropanoylamino)-2-methylpentanoate?
methyl 2-(3-methoxypropanoylamino)-2-methylpentanoate has a molecular weight of 231.29 g/mol, XLogP of 0.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methoxypropanoylamino)-2-methylpentanoate is sourced from PubChem (CID 62591168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).