methyl 3-[[5-(dimethylamino)-4-methylpentan-2-yl]amino]propanoate

C12H26N2O2 — CID 174302940

IUPACmethyl 3-[[5-(dimethylamino)-4-methylpentan-2-yl]amino]propanoate
SMILESCOC(=O)CCNC(C)CC(C)CN(C)C
InChIInChI=1S/C12H26N2O2/c1-10(9-14(3)4)8-11(2)13-7-6-12(15)16-5/h10-11,13H,6-9H2,1-5H3
InChIKeyIOZULNOXQCYOHH-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.12
Rot. Bonds8

About methyl 3-[[5-(dimethylamino)-4-methylpentan-2-yl]amino]propanoate

methyl 3-[[5-(dimethylamino)-4-methylpentan-2-yl]amino]propanoate (PubChem CID 174302940) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is methyl 3-[[5-(dimethylamino)-4-methylpentan-2-yl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[5-(dimethylamino)-4-methylpentan-2-yl]amino]propanoate
PubChem CID174302940
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Namemethyl 3-[[5-(dimethylamino)-4-methylpentan-2-yl]amino]propanoate
SMILESCOC(=O)CCNC(C)CC(C)CN(C)C
InChIInChI=1S/C12H26N2O2/c1-10(9-14(3)4)8-11(2)13-7-6-12(15)16-5/h10-11,13H,6-9H2,1-5H3
InChIKeyIOZULNOXQCYOHH-UHFFFAOYSA-N
XLogP1.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]butanoate
CID 54963729
methyl 3-[[(2R,3R)-1,3-dihydroxybutan-2-yl]amino]propanoate
CID 90207580
methyl 3-(3-methylpentan-2-ylamino)propanoate
CID 43139672
methyl 3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]butanoate
CID 54963779
methyl 3-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]amino]propanoate
CID 90207576
methyl 3-(2-methylpentan-3-ylamino)propanoate
CID 43774714
tert-butyl 3-[4-(dimethylamino)butan-2-ylamino]propanoate
CID 104864475
methyl 3-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]propanoate
CID 60719528
dimethyl 4-methylheptanedioate
CID 521222
methyl 3-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]propanoate
CID 60672495
ethyl 2-[1-(dimethylamino)propan-2-ylamino]acetate
CID 82938567
methyl 3-(2-methylpropoxyamino)propanoate
CID 82715640

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[5-(dimethylamino)-4-methylpentan-2-yl]amino]propanoate?
The IUPAC name of methyl 3-[[5-(dimethylamino)-4-methylpentan-2-yl]amino]propanoate (CID 174302940) is methyl 3-[[5-(dimethylamino)-4-methylpentan-2-yl]amino]propanoate.
What is the SMILES notation for methyl 3-[[5-(dimethylamino)-4-methylpentan-2-yl]amino]propanoate?
The canonical SMILES for methyl 3-[[5-(dimethylamino)-4-methylpentan-2-yl]amino]propanoate is COC(=O)CCNC(C)CC(C)CN(C)C.
What is the InChIKey of methyl 3-[[5-(dimethylamino)-4-methylpentan-2-yl]amino]propanoate?
The InChIKey is IOZULNOXQCYOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-10(9-14(3)4)8-11(2)13-7-6-12(15)16-5/h10-11,13H,6-9H2,1-5H3.
What are the key properties of methyl 3-[[5-(dimethylamino)-4-methylpentan-2-yl]amino]propanoate?
methyl 3-[[5-(dimethylamino)-4-methylpentan-2-yl]amino]propanoate has a molecular weight of 230.35 g/mol, XLogP of 1.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[5-(dimethylamino)-4-methylpentan-2-yl]amino]propanoate is sourced from PubChem (CID 174302940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).