methyl 2-(cyclopropylamino)-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanoate

C16H29N3O2 — CID 63170968

IUPACmethyl 2-(cyclopropylamino)-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanoate
SMILESCOC(=O)C(CN1CCC(N2CCCCC2)C1)NC1CC1
InChIInChI=1S/C16H29N3O2/c1-21-16(20)15(17-13-5-6-13)12-18-10-7-14(11-18)19-8-3-2-4-9-19/h13-15,17H,2-12H2,1H3
InChIKeyHWPWHIRWPMGGCS-UHFFFAOYSA-N
MW295.43 g/mol
LogP0.84
Rot. Bonds6

About methyl 2-(cyclopropylamino)-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanoate

methyl 2-(cyclopropylamino)-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanoate (PubChem CID 63170968) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanoate
PubChem CID63170968
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Namemethyl 2-(cyclopropylamino)-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanoate
SMILESCOC(=O)C(CN1CCC(N2CCCCC2)C1)NC1CC1
InChIInChI=1S/C16H29N3O2/c1-21-16(20)15(17-13-5-6-13)12-18-10-7-14(11-18)19-8-3-2-4-9-19/h13-15,17H,2-12H2,1H3
InChIKeyHWPWHIRWPMGGCS-UHFFFAOYSA-N
XLogP0.84
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid
CID 55159716
methyl 2-bromo-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanoate
CID 81100758
ethyl 3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-(cyclopropylamino)propanoate
CID 63151346
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(cyclopropylamino)propanoic acid
CID 79935240
methyl 2-(cyclopropylamino)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate
CID 55158561
2-(cyclopropylamino)-3-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-ol
CID 64792100
ethyl 2-(ethylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate
CID 63165522
methyl 2-(cyclopropylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanoate
CID 63635593
methyl 2-(cyclopropylamino)-3-(4,4-dimethylpiperidin-1-yl)propanoate
CID 55155554
methyl 3-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)propanoate
CID 63160319
2-(ethylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid
CID 63165353
2-(cyclopropylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanoic acid
CID 79174738

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanoate?
The IUPAC name of methyl 2-(cyclopropylamino)-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanoate (CID 63170968) is methyl 2-(cyclopropylamino)-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanoate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanoate?
The canonical SMILES for methyl 2-(cyclopropylamino)-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanoate is COC(=O)C(CN1CCC(N2CCCCC2)C1)NC1CC1.
What is the InChIKey of methyl 2-(cyclopropylamino)-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanoate?
The InChIKey is HWPWHIRWPMGGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-21-16(20)15(17-13-5-6-13)12-18-10-7-14(11-18)19-8-3-2-4-9-19/h13-15,17H,2-12H2,1H3.
What are the key properties of methyl 2-(cyclopropylamino)-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanoate?
methyl 2-(cyclopropylamino)-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanoate has a molecular weight of 295.43 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanoate is sourced from PubChem (CID 63170968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).