methyl 2-(1-methoxypropan-2-ylamino)-3-methylpentanoate

C11H23NO3 — CID 62535658

IUPACmethyl 2-(1-methoxypropan-2-ylamino)-3-methylpentanoate
SMILESCCC(C)C(NC(C)COC)C(=O)OC
InChIInChI=1S/C11H23NO3/c1-6-8(2)10(11(13)15-5)12-9(3)7-14-4/h8-10,12H,6-7H2,1-5H3
InChIKeyKXLJEXVCXVPXTR-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.20
Rot. Bonds7

About methyl 2-(1-methoxypropan-2-ylamino)-3-methylpentanoate

methyl 2-(1-methoxypropan-2-ylamino)-3-methylpentanoate (PubChem CID 62535658) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is methyl 2-(1-methoxypropan-2-ylamino)-3-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-(1-methoxypropan-2-ylamino)-3-methylpentanoate
PubChem CID62535658
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Namemethyl 2-(1-methoxypropan-2-ylamino)-3-methylpentanoate
SMILESCCC(C)C(NC(C)COC)C(=O)OC
InChIInChI=1S/C11H23NO3/c1-6-8(2)10(11(13)15-5)12-9(3)7-14-4/h8-10,12H,6-7H2,1-5H3
InChIKeyKXLJEXVCXVPXTR-UHFFFAOYSA-N
XLogP1.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(hex-5-en-2-ylamino)-3-methylpentanoate
CID 104655556
2-(1-methoxypropan-2-ylamino)-N,N,3-trimethylbutanamide
CID 115711313
methyl 3-methyl-2-[1-(4-methylphenyl)ethylamino]pentanoate
CID 43732410
methyl 2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoate
CID 61146510
methyl 2-(2-hydroxyethoxycarbonylamino)-3-methylpentanoate
CID 79345601
methyl 2-[1-(azepan-2-yl)propan-2-ylamino]-3-methylpentanoate
CID 79560878
methyl (2S,3S)-3-methyl-2-propan-2-ylpentanoate
CID 59686053
methyl 4-methoxy-2-(2-methoxyethylamino)-3-methylbutanoate
CID 116502084
methyl (2S)-2-(1-ethylsulfonylpropan-2-ylamino)-3-methylbutanoate
CID 113494507
methyl 2-[[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-3,4-dioxocyclobuten-1-yl]amino]-3-methylpentanoate
CID 139616359
2-(2-methoxyethylamino)-3-methylpentanamide
CID 62541337
methyl 3-methyl-2-(propan-2-ylsulfonylamino)pentanoate
CID 64585319

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-methoxypropan-2-ylamino)-3-methylpentanoate?
The IUPAC name of methyl 2-(1-methoxypropan-2-ylamino)-3-methylpentanoate (CID 62535658) is methyl 2-(1-methoxypropan-2-ylamino)-3-methylpentanoate.
What is the SMILES notation for methyl 2-(1-methoxypropan-2-ylamino)-3-methylpentanoate?
The canonical SMILES for methyl 2-(1-methoxypropan-2-ylamino)-3-methylpentanoate is CCC(C)C(NC(C)COC)C(=O)OC.
What is the InChIKey of methyl 2-(1-methoxypropan-2-ylamino)-3-methylpentanoate?
The InChIKey is KXLJEXVCXVPXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-6-8(2)10(11(13)15-5)12-9(3)7-14-4/h8-10,12H,6-7H2,1-5H3.
What are the key properties of methyl 2-(1-methoxypropan-2-ylamino)-3-methylpentanoate?
methyl 2-(1-methoxypropan-2-ylamino)-3-methylpentanoate has a molecular weight of 217.31 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-methoxypropan-2-ylamino)-3-methylpentanoate is sourced from PubChem (CID 62535658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).