methyl 4-methyl-2-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]pentanoate

C13H26N2O3 — CID 54940277

IUPACmethyl 4-methyl-2-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NCC(=O)N(C)C(C)C
InChIInChI=1S/C13H26N2O3/c1-9(2)7-11(13(17)18-6)14-8-12(16)15(5)10(3)4/h9-11,14H,7-8H2,1-6H3
InChIKeyWYVUPCKKVMPCMI-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.03
Rot. Bonds7

About methyl 4-methyl-2-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]pentanoate

methyl 4-methyl-2-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]pentanoate (PubChem CID 54940277) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is methyl 4-methyl-2-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]pentanoate
PubChem CID54940277
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Namemethyl 4-methyl-2-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NCC(=O)N(C)C(C)C
InChIInChI=1S/C13H26N2O3/c1-9(2)7-11(13(17)18-6)14-8-12(16)15(5)10(3)4/h9-11,14H,7-8H2,1-6H3
InChIKeyWYVUPCKKVMPCMI-UHFFFAOYSA-N
XLogP1.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-methyl-2-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]pentanoate with MolForge

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Related Compounds

methyl 2-[[2-(diethylamino)-2-oxoethyl]amino]-4-methylpentanoate
CID 54939870
methyl 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-4-methylpentanoate
CID 60692089
2-[[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]methyl]prop-2-enoic acid
CID 103245766
methyl 2-[(3-chloro-2-methylprop-2-enyl)amino]-4-methylpentanoate
CID 106437639
2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-N-methyl-N-propan-2-ylacetamide
CID 106159823
methyl 2-(ethylamino)-4-[methyl(4-methylpentan-2-yl)amino]butanoate
CID 63053083
methyl 2-[(3-methoxy-3-methylbutyl)amino]-4-methylpentanoate
CID 103033254
methyl (2R)-2-(chloroamino)-4-methylpentanoate
CID 59125779
methyl (2S)-4-methyl-2-(methylamino)pentanoate;hydrochloride
CID 75487996
methyl 4-methyl-2-(propan-2-ylamino)pentanoate
CID 43230583
methyl 4-methyl-2-[(2-morpholin-4-yl-2-oxoethyl)amino]pentanoate
CID 54940231
methyl 2-[[2-(heptan-2-ylamino)-2-oxoethyl]amino]-4-methylpentanoate
CID 60696601

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]pentanoate (CID 54940277) is methyl 4-methyl-2-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]pentanoate is COC(=O)C(CC(C)C)NCC(=O)N(C)C(C)C.
What is the InChIKey of methyl 4-methyl-2-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]pentanoate?
The InChIKey is WYVUPCKKVMPCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-9(2)7-11(13(17)18-6)14-8-12(16)15(5)10(3)4/h9-11,14H,7-8H2,1-6H3.
What are the key properties of methyl 4-methyl-2-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]pentanoate?
methyl 4-methyl-2-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]pentanoate has a molecular weight of 258.36 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]pentanoate is sourced from PubChem (CID 54940277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).