methyl 2-[[2-methyl-2-(methylamino)propanoyl]-propan-2-ylamino]acetate

C11H22N2O3 — CID 62847263

IUPACmethyl 2-[[2-methyl-2-(methylamino)propanoyl]-propan-2-ylamino]acetate
SMILESCNC(C)(C)C(=O)N(CC(=O)OC)C(C)C
InChIInChI=1S/C11H22N2O3/c1-8(2)13(7-9(14)16-6)10(15)11(3,4)12-5/h8,12H,7H2,1-6H3
InChIKeyNUGJFSLBPLLIPA-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.39
Rot. Bonds5

About methyl 2-[[2-methyl-2-(methylamino)propanoyl]-propan-2-ylamino]acetate

methyl 2-[[2-methyl-2-(methylamino)propanoyl]-propan-2-ylamino]acetate (PubChem CID 62847263) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is methyl 2-[[2-methyl-2-(methylamino)propanoyl]-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-methyl-2-(methylamino)propanoyl]-propan-2-ylamino]acetate
PubChem CID62847263
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Namemethyl 2-[[2-methyl-2-(methylamino)propanoyl]-propan-2-ylamino]acetate
SMILESCNC(C)(C)C(=O)N(CC(=O)OC)C(C)C
InChIInChI=1S/C11H22N2O3/c1-8(2)13(7-9(14)16-6)10(15)11(3,4)12-5/h8,12H,7H2,1-6H3
InChIKeyNUGJFSLBPLLIPA-UHFFFAOYSA-N
XLogP0.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-{[(2R)-2-ammoniopropanoyl]amino}propanoate
CID 6992112
{[(2S)-2-ammoniopropanoyl]amino}acetate
CID 6998028
Ala-Ala zwitterion
CID 6992372
CID 5242513
CID 5242513
Ac-Ala-Val-Ome
CID 166176924
methyl (2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-3-methylbutanoate
CID 127044382
N-Acetyl-ala-ala-ala-methylester
CID 5462473
CID 6992370
CID 6992370
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azaniumylpropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoate
CID 72200580
Methyl 2-{2-[2-(acetylamino)propanoylamino]propanoylamino}propanoate
CID 100120
l-Alanine, N-pivaloyl-, methyl ester
CID 531531
methyl (2S)-2-((2S)-2-aminopropanamido)propanoate hydrochloride
CID 13967281

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-methyl-2-(methylamino)propanoyl]-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[[2-methyl-2-(methylamino)propanoyl]-propan-2-ylamino]acetate (CID 62847263) is methyl 2-[[2-methyl-2-(methylamino)propanoyl]-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[[2-methyl-2-(methylamino)propanoyl]-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[[2-methyl-2-(methylamino)propanoyl]-propan-2-ylamino]acetate is CNC(C)(C)C(=O)N(CC(=O)OC)C(C)C.
What is the InChIKey of methyl 2-[[2-methyl-2-(methylamino)propanoyl]-propan-2-ylamino]acetate?
The InChIKey is NUGJFSLBPLLIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-8(2)13(7-9(14)16-6)10(15)11(3,4)12-5/h8,12H,7H2,1-6H3.
What are the key properties of methyl 2-[[2-methyl-2-(methylamino)propanoyl]-propan-2-ylamino]acetate?
methyl 2-[[2-methyl-2-(methylamino)propanoyl]-propan-2-ylamino]acetate has a molecular weight of 230.31 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-methyl-2-(methylamino)propanoyl]-propan-2-ylamino]acetate is sourced from PubChem (CID 62847263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).