methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylmorpholin-4-yl)propanoate

C15H26N2O3 — CID 63907865

IUPACmethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylmorpholin-4-yl)propanoate
SMILESCOC(=O)C(CN1CCOC(C)C1)(NC1CC1)C1CC1
InChIInChI=1S/C15H26N2O3/c1-11-9-17(7-8-20-11)10-15(12-3-4-12,14(18)19-2)16-13-5-6-13/h11-13,16H,3-10H2,1-2H3
InChIKeyGGOCBQINOPREIT-UHFFFAOYSA-N
MW282.38 g/mol
LogP0.78
Rot. Bonds6

About methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylmorpholin-4-yl)propanoate

methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylmorpholin-4-yl)propanoate (PubChem CID 63907865) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylmorpholin-4-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylmorpholin-4-yl)propanoate
PubChem CID63907865
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Namemethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylmorpholin-4-yl)propanoate
SMILESCOC(=O)C(CN1CCOC(C)C1)(NC1CC1)C1CC1
InChIInChI=1S/C15H26N2O3/c1-11-9-17(7-8-20-11)10-15(12-3-4-12,14(18)19-2)16-13-5-6-13/h11-13,16H,3-10H2,1-2H3
InChIKeyGGOCBQINOPREIT-UHFFFAOYSA-N
XLogP0.78
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylmorpholin-4-yl)propanoic acid
CID 63907482
ethyl 2-amino-2-cyclopropyl-3-(2-methylmorpholin-4-yl)propanoate
CID 63907673
2-cyclopropyl-2-(cyclopropylamino)-3-(3-methoxypyrrolidin-1-yl)propanamide
CID 103537930
ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3,4-dimethylpyrrolidin-1-yl)propanoate
CID 79177875
2-cyclopropyl-2-(cyclopropylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoic acid
CID 64583342
methyl 2-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)-2-(propylamino)propanoate
CID 63906853
methyl 2-[(2S)-2-methylmorpholin-4-yl]acetate
CID 28880549
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(oxetan-3-ylsulfanyl)propanoate
CID 79327118
methyl 2-amino-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)butanoate
CID 55152396
methyl 2-(cyclopropylamino)-4-(2-methylmorpholin-4-yl)butanoate
CID 63029546
2-cyclopropyl-2-(cyclopropylamino)-3-(4-methylpiperidin-1-yl)propanamide
CID 63907004
methyl 2-cyclopropyl-3-(3,4-dimethylpiperazin-1-yl)-2-(propan-2-ylamino)propanoate
CID 63926632

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylmorpholin-4-yl)propanoate?
The IUPAC name of methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylmorpholin-4-yl)propanoate (CID 63907865) is methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylmorpholin-4-yl)propanoate.
What is the SMILES notation for methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylmorpholin-4-yl)propanoate?
The canonical SMILES for methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylmorpholin-4-yl)propanoate is COC(=O)C(CN1CCOC(C)C1)(NC1CC1)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylmorpholin-4-yl)propanoate?
The InChIKey is GGOCBQINOPREIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11-9-17(7-8-20-11)10-15(12-3-4-12,14(18)19-2)16-13-5-6-13/h11-13,16H,3-10H2,1-2H3.
What are the key properties of methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylmorpholin-4-yl)propanoate?
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylmorpholin-4-yl)propanoate has a molecular weight of 282.38 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylmorpholin-4-yl)propanoate is sourced from PubChem (CID 63907865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).