methyl 2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]acetate

C12H22N2O3 — CID 103096980

IUPACmethyl 2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]acetate
SMILESCOC(=O)C(NCCC(=O)NC(C)C)C1CC1
InChIInChI=1S/C12H22N2O3/c1-8(2)14-10(15)6-7-13-11(9-4-5-9)12(16)17-3/h8-9,11,13H,4-7H2,1-3H3,(H,14,15)
InChIKeyHEPVSSWWKIAHNU-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.44
Rot. Bonds7

About methyl 2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]acetate

methyl 2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]acetate (PubChem CID 103096980) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]acetate
PubChem CID103096980
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namemethyl 2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]acetate
SMILESCOC(=O)C(NCCC(=O)NC(C)C)C1CC1
InChIInChI=1S/C12H22N2O3/c1-8(2)14-10(15)6-7-13-11(9-4-5-9)12(16)17-3/h8-9,11,13H,4-7H2,1-3H3,(H,14,15)
InChIKeyHEPVSSWWKIAHNU-UHFFFAOYSA-N
XLogP0.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-cyclopropyl-2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]acetate
CID 103263241
2-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]acetic acid
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methyl 3-methyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]butanoate
CID 62623948
methyl 2-cyclopropyl-2-(4-hydroxybutylamino)acetate
CID 106842801
methyl 2-cyclohexyl-2-(2-methoxyethylamino)acetate
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methyl 2-cyclopropyl-2-(2-piperidin-1-ylethylamino)acetate
CID 103244360
methyl 2-cyclopropyl-2-(3-hydroxypentylamino)acetate
CID 103267655
methyl 2-cyclopropyl-2-[[2-oxo-2-(propylamino)ethyl]amino]acetate
CID 103239088
methyl 2-cyclopropyl-2-(2-pyrrolidin-1-ylpropylamino)acetate
CID 103259490
methyl 2-(3-butoxypropylamino)-2-cyclopropylacetate
CID 103264717
methyl 2-cyclopropyl-2-[3-(diethylamino)propylamino]acetate
CID 103234575
2-cyclopropyl-2-[(3-methoxy-3-oxopropyl)amino]acetic acid
CID 103240366

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]acetate?
The IUPAC name of methyl 2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]acetate (CID 103096980) is methyl 2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]acetate.
What is the SMILES notation for methyl 2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]acetate?
The canonical SMILES for methyl 2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]acetate is COC(=O)C(NCCC(=O)NC(C)C)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]acetate?
The InChIKey is HEPVSSWWKIAHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8(2)14-10(15)6-7-13-11(9-4-5-9)12(16)17-3/h8-9,11,13H,4-7H2,1-3H3,(H,14,15).
What are the key properties of methyl 2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]acetate?
methyl 2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]acetate has a molecular weight of 242.32 g/mol, XLogP of 0.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]acetate is sourced from PubChem (CID 103096980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).