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

C12H22N2O3 — CID 55090982

IUPACmethyl 2-[[3-(cyclopropylamino)-3-oxopropyl]-propan-2-ylamino]acetate
SMILESCOC(=O)CN(CCC(=O)NC1CC1)C(C)C
InChIInChI=1S/C12H22N2O3/c1-9(2)14(8-12(16)17-3)7-6-11(15)13-10-4-5-10/h9-10H,4-8H2,1-3H3,(H,13,15)
InChIKeyCXPQRGQYDTUJDE-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.54
Rot. Bonds7

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

methyl 2-[[3-(cyclopropylamino)-3-oxopropyl]-propan-2-ylamino]acetate (PubChem CID 55090982) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is methyl 2-[[3-(cyclopropylamino)-3-oxopropyl]-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-(cyclopropylamino)-3-oxopropyl]-propan-2-ylamino]acetate
PubChem CID55090982
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namemethyl 2-[[3-(cyclopropylamino)-3-oxopropyl]-propan-2-ylamino]acetate
SMILESCOC(=O)CN(CCC(=O)NC1CC1)C(C)C
InChIInChI=1S/C12H22N2O3/c1-9(2)14(8-12(16)17-3)7-6-11(15)13-10-4-5-10/h9-10H,4-8H2,1-3H3,(H,13,15)
InChIKeyCXPQRGQYDTUJDE-UHFFFAOYSA-N
XLogP0.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[3-(cyclohexylamino)-3-oxopropyl]-propan-2-ylamino]acetate
CID 62028525
3-[[2-(cyclohexylamino)-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 54925805
methyl 2-[[3-(methylcarbamoylamino)-3-oxopropyl]-propan-2-ylamino]acetate
CID 62025905
N-cyclopropyl-3-[piperidin-3-ylmethyl(propan-2-yl)amino]propanamide
CID 106637897
methyl 2-[cyclobutylcarbamoyl(propan-2-yl)amino]acetate
CID 116655081
N-cyclopropyl-3-[2-hydroxypropyl(methyl)amino]propanamide
CID 62627967
methyl 3-[2-chloroprop-2-enyl(propan-2-yl)amino]propanoate
CID 56790014
methyl 3-[3-(cyclopropylamino)-3-oxopropyl]sulfanylbutanoate
CID 66114616
methyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]-propylamino]acetate
CID 62011561
methyl 6-(cyclopentylamino)-6-oxohexanoate
CID 162372122
methyl 2-[3-fluoropropyl(propan-2-yl)amino]acetate
CID 81113798
2-[[2-(cyclopentylamino)-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60840485

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(cyclopropylamino)-3-oxopropyl]-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[[3-(cyclopropylamino)-3-oxopropyl]-propan-2-ylamino]acetate (CID 55090982) is methyl 2-[[3-(cyclopropylamino)-3-oxopropyl]-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[[3-(cyclopropylamino)-3-oxopropyl]-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[[3-(cyclopropylamino)-3-oxopropyl]-propan-2-ylamino]acetate is COC(=O)CN(CCC(=O)NC1CC1)C(C)C.
What is the InChIKey of methyl 2-[[3-(cyclopropylamino)-3-oxopropyl]-propan-2-ylamino]acetate?
The InChIKey is CXPQRGQYDTUJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(2)14(8-12(16)17-3)7-6-11(15)13-10-4-5-10/h9-10H,4-8H2,1-3H3,(H,13,15).
What are the key properties of methyl 2-[[3-(cyclopropylamino)-3-oxopropyl]-propan-2-ylamino]acetate?
methyl 2-[[3-(cyclopropylamino)-3-oxopropyl]-propan-2-ylamino]acetate has a molecular weight of 242.32 g/mol, XLogP of 0.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(cyclopropylamino)-3-oxopropyl]-propan-2-ylamino]acetate is sourced from PubChem (CID 55090982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).