methyl 2-(cyclopropylamino)-4-(2-methylmorpholin-4-yl)butanoate

C13H24N2O3 — CID 63029546

IUPACmethyl 2-(cyclopropylamino)-4-(2-methylmorpholin-4-yl)butanoate
SMILESCOC(=O)C(CCN1CCOC(C)C1)NC1CC1
InChIInChI=1S/C13H24N2O3/c1-10-9-15(7-8-18-10)6-5-12(13(16)17-2)14-11-3-4-11/h10-12,14H,3-9H2,1-2H3
InChIKeyLHPSWCJTDVZCCE-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.39
Rot. Bonds6

About methyl 2-(cyclopropylamino)-4-(2-methylmorpholin-4-yl)butanoate

methyl 2-(cyclopropylamino)-4-(2-methylmorpholin-4-yl)butanoate (PubChem CID 63029546) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-4-(2-methylmorpholin-4-yl)butanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-4-(2-methylmorpholin-4-yl)butanoate
PubChem CID63029546
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Namemethyl 2-(cyclopropylamino)-4-(2-methylmorpholin-4-yl)butanoate
SMILESCOC(=O)C(CCN1CCOC(C)C1)NC1CC1
InChIInChI=1S/C13H24N2O3/c1-10-9-15(7-8-18-10)6-5-12(13(16)17-2)14-11-3-4-11/h10-12,14H,3-9H2,1-2H3
InChIKeyLHPSWCJTDVZCCE-UHFFFAOYSA-N
XLogP0.39
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(cyclopropylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate
CID 63971806
ethyl 2-(cyclopropylamino)-4-(2,6-dimethylmorpholin-4-yl)butanoate
CID 63027402
ethyl 2-(cyclopropylamino)-4-(4-methylpiperidin-1-yl)butanoate
CID 63027972
methyl 2-[(2S)-2-methylmorpholin-4-yl]acetate
CID 28880549
ethyl 2-(methylamino)-4-(2-methyl-1,4-oxazepan-4-yl)butanoate
CID 55145486
methyl 2-(cyclopropylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butanoate
CID 114596367
ethyl 2-(cyclopropylamino)-4-(4,4-dimethylazepan-1-yl)butanoate
CID 65282142
methyl 2-amino-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)butanoate
CID 55152396
N-methyl-3-(2-methylmorpholin-4-yl)propanamide
CID 131041683
methyl 4-(2,6-dimethylmorpholin-4-yl)-2-(propan-2-ylamino)butanoate
CID 63029150
2-(cyclopropylamino)-4-(3-methoxy-3-methylpiperidin-1-yl)butanamide
CID 107394779
ethyl 2-(cyclopropylamino)-4-(4-ethylpiperidin-1-yl)butanoate
CID 63053623

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-4-(2-methylmorpholin-4-yl)butanoate?
The IUPAC name of methyl 2-(cyclopropylamino)-4-(2-methylmorpholin-4-yl)butanoate (CID 63029546) is methyl 2-(cyclopropylamino)-4-(2-methylmorpholin-4-yl)butanoate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-4-(2-methylmorpholin-4-yl)butanoate?
The canonical SMILES for methyl 2-(cyclopropylamino)-4-(2-methylmorpholin-4-yl)butanoate is COC(=O)C(CCN1CCOC(C)C1)NC1CC1.
What is the InChIKey of methyl 2-(cyclopropylamino)-4-(2-methylmorpholin-4-yl)butanoate?
The InChIKey is LHPSWCJTDVZCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10-9-15(7-8-18-10)6-5-12(13(16)17-2)14-11-3-4-11/h10-12,14H,3-9H2,1-2H3.
What are the key properties of methyl 2-(cyclopropylamino)-4-(2-methylmorpholin-4-yl)butanoate?
methyl 2-(cyclopropylamino)-4-(2-methylmorpholin-4-yl)butanoate has a molecular weight of 256.35 g/mol, XLogP of 0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-4-(2-methylmorpholin-4-yl)butanoate is sourced from PubChem (CID 63029546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).