methyl 2-[[3-(methylcarbamoylamino)-3-oxopropyl]-propan-2-ylamino]acetate

C11H21N3O4 — CID 62025905

IUPACmethyl 2-[[3-(methylcarbamoylamino)-3-oxopropyl]-propan-2-ylamino]acetate
SMILESCNC(=O)NC(=O)CCN(CC(=O)OC)C(C)C
InChIInChI=1S/C11H21N3O4/c1-8(2)14(7-10(16)18-4)6-5-9(15)13-11(17)12-3/h8H,5-7H2,1-4H3,(H2,12,13,15,17)
InChIKeyBGSWPJFDNXCMGN-UHFFFAOYSA-N
MW259.31 g/mol
LogP-0.28
Rot. Bonds6

About methyl 2-[[3-(methylcarbamoylamino)-3-oxopropyl]-propan-2-ylamino]acetate

methyl 2-[[3-(methylcarbamoylamino)-3-oxopropyl]-propan-2-ylamino]acetate (PubChem CID 62025905) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl 2-[[3-(methylcarbamoylamino)-3-oxopropyl]-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-(methylcarbamoylamino)-3-oxopropyl]-propan-2-ylamino]acetate
PubChem CID62025905
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Namemethyl 2-[[3-(methylcarbamoylamino)-3-oxopropyl]-propan-2-ylamino]acetate
SMILESCNC(=O)NC(=O)CCN(CC(=O)OC)C(C)C
InChIInChI=1S/C11H21N3O4/c1-8(2)14(7-10(16)18-4)6-5-9(15)13-11(17)12-3/h8H,5-7H2,1-4H3,(H2,12,13,15,17)
InChIKeyBGSWPJFDNXCMGN-UHFFFAOYSA-N
XLogP-0.28
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[3-(cyclopropylamino)-3-oxopropyl]-propan-2-ylamino]acetate
CID 55090982
methyl 2-[ethyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetate
CID 62011390
N-(methylcarbamoyl)-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106614633
methyl 2-[3-fluoropropyl(propan-2-yl)amino]acetate
CID 81113798
methyl 2-[5-hydroxypentyl(propan-2-yl)amino]acetate
CID 62227556
methyl 2-[2-butoxyethyl(propan-2-yl)amino]acetate
CID 55208271
methyl 3-[2-chloroprop-2-enyl(propan-2-yl)amino]propanoate
CID 56790014
methyl 2-[[2-(dipropylamino)-2-oxoethyl]-propan-2-ylamino]acetate
CID 62027203
methyl 2-[cyclopentyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetate
CID 80708618
methyl 2-[[3-(3-chloroanilino)-3-oxopropyl]-propan-2-ylamino]acetate
CID 62027581
methyl 2-[[3-(3-fluoroanilino)-3-oxopropyl]-propan-2-ylamino]acetate
CID 62026089
methyl 2-[2,2-dimethoxyethyl(propan-2-yl)amino]acetate
CID 81089731

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(methylcarbamoylamino)-3-oxopropyl]-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[[3-(methylcarbamoylamino)-3-oxopropyl]-propan-2-ylamino]acetate (CID 62025905) is methyl 2-[[3-(methylcarbamoylamino)-3-oxopropyl]-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[[3-(methylcarbamoylamino)-3-oxopropyl]-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[[3-(methylcarbamoylamino)-3-oxopropyl]-propan-2-ylamino]acetate is CNC(=O)NC(=O)CCN(CC(=O)OC)C(C)C.
What is the InChIKey of methyl 2-[[3-(methylcarbamoylamino)-3-oxopropyl]-propan-2-ylamino]acetate?
The InChIKey is BGSWPJFDNXCMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-8(2)14(7-10(16)18-4)6-5-9(15)13-11(17)12-3/h8H,5-7H2,1-4H3,(H2,12,13,15,17).
What are the key properties of methyl 2-[[3-(methylcarbamoylamino)-3-oxopropyl]-propan-2-ylamino]acetate?
methyl 2-[[3-(methylcarbamoylamino)-3-oxopropyl]-propan-2-ylamino]acetate has a molecular weight of 259.31 g/mol, XLogP of -0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(methylcarbamoylamino)-3-oxopropyl]-propan-2-ylamino]acetate is sourced from PubChem (CID 62025905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).