methyl 2-(cyclopropylamino)-3-(4,4-dimethylpiperidin-1-yl)propanoate

C14H26N2O2 — CID 55155554

IUPACmethyl 2-(cyclopropylamino)-3-(4,4-dimethylpiperidin-1-yl)propanoate
SMILESCOC(=O)C(CN1CCC(C)(C)CC1)NC1CC1
InChIInChI=1S/C14H26N2O2/c1-14(2)6-8-16(9-7-14)10-12(13(17)18-3)15-11-4-5-11/h11-12,15H,4-10H2,1-3H3
InChIKeyXHSWBPYHEDMMBJ-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.40
Rot. Bonds5

About methyl 2-(cyclopropylamino)-3-(4,4-dimethylpiperidin-1-yl)propanoate

methyl 2-(cyclopropylamino)-3-(4,4-dimethylpiperidin-1-yl)propanoate (PubChem CID 55155554) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-3-(4,4-dimethylpiperidin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-3-(4,4-dimethylpiperidin-1-yl)propanoate
PubChem CID55155554
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Namemethyl 2-(cyclopropylamino)-3-(4,4-dimethylpiperidin-1-yl)propanoate
SMILESCOC(=O)C(CN1CCC(C)(C)CC1)NC1CC1
InChIInChI=1S/C14H26N2O2/c1-14(2)6-8-16(9-7-14)10-12(13(17)18-3)15-11-4-5-11/h11-12,15H,4-10H2,1-3H3
InChIKeyXHSWBPYHEDMMBJ-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)propanoate
CID 63160319
methyl 3-(4,4-dimethylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate
CID 62930775
methyl 2-(cyclopropylamino)-3-(1,1-dioxo-1,4-thiazepan-4-yl)propanoate
CID 114083688
methyl 2-(cyclopropylamino)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate
CID 55158561
2-(cyclopropylamino)-4-(4,4-dimethylpiperidin-1-yl)butanoic acid
CID 63055407
methyl 2-(cyclopropylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanoate
CID 63635593
methyl 2-(cyclopropylamino)-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanoate
CID 63170968
3-(3-azaspiro[5.5]undecan-3-yl)-2-(cyclopropylamino)propanamide
CID 62931119
ethyl 2-(cyclopropylamino)-4-(4,4-dimethylazepan-1-yl)butanoate
CID 65282142
methyl 2-(cyclopropylamino)-4-methoxy-4-methylpentanoate
CID 106675932
methyl 4-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)butanoate
CID 63055247
methyl 2-(cyclopropylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate
CID 63971806

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-3-(4,4-dimethylpiperidin-1-yl)propanoate?
The IUPAC name of methyl 2-(cyclopropylamino)-3-(4,4-dimethylpiperidin-1-yl)propanoate (CID 55155554) is methyl 2-(cyclopropylamino)-3-(4,4-dimethylpiperidin-1-yl)propanoate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-3-(4,4-dimethylpiperidin-1-yl)propanoate?
The canonical SMILES for methyl 2-(cyclopropylamino)-3-(4,4-dimethylpiperidin-1-yl)propanoate is COC(=O)C(CN1CCC(C)(C)CC1)NC1CC1.
What is the InChIKey of methyl 2-(cyclopropylamino)-3-(4,4-dimethylpiperidin-1-yl)propanoate?
The InChIKey is XHSWBPYHEDMMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(2)6-8-16(9-7-14)10-12(13(17)18-3)15-11-4-5-11/h11-12,15H,4-10H2,1-3H3.
What are the key properties of methyl 2-(cyclopropylamino)-3-(4,4-dimethylpiperidin-1-yl)propanoate?
methyl 2-(cyclopropylamino)-3-(4,4-dimethylpiperidin-1-yl)propanoate has a molecular weight of 254.37 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-3-(4,4-dimethylpiperidin-1-yl)propanoate is sourced from PubChem (CID 55155554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).