methyl 2-amino-2-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pentanoate

C15H29N3O3 — CID 63170970

IUPACmethyl 2-amino-2-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pentanoate
SMILESCOC(=O)C(C)(N)CCCN1CCC(N2CCOCC2)C1
InChIInChI=1S/C15H29N3O3/c1-15(16,14(19)20-2)5-3-6-17-7-4-13(12-17)18-8-10-21-11-9-18/h13H,3-12,16H2,1-2H3
InChIKeyPXFOIWFMQSBIEH-UHFFFAOYSA-N
MW299.41 g/mol
LogP0.06
Rot. Bonds6

About methyl 2-amino-2-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pentanoate

methyl 2-amino-2-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pentanoate (PubChem CID 63170970) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is methyl 2-amino-2-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pentanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pentanoate
PubChem CID63170970
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC Namemethyl 2-amino-2-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pentanoate
SMILESCOC(=O)C(C)(N)CCCN1CCC(N2CCOCC2)C1
InChIInChI=1S/C15H29N3O3/c1-15(16,14(19)20-2)5-3-6-17-7-4-13(12-17)18-8-10-21-11-9-18/h13H,3-12,16H2,1-2H3
InChIKeyPXFOIWFMQSBIEH-UHFFFAOYSA-N
XLogP0.06
TPSA68.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-amino-2-methyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexanoate
CID 79163888
2-amino-2-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid
CID 63171016
methyl 2-amino-4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-methylbutanoate
CID 63151003
2-amino-2-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid
CID 55159526
methyl 2-amino-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate
CID 55160526
2,2-dimethyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid
CID 65248073
3-(aminomethyl)-6-(3-morpholin-4-ylpyrrolidin-1-yl)hexan-3-ol
CID 106811330
ethyl 2-amino-2-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoate
CID 79163910
2-amino-2-methyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoic acid
CID 63171282
2-(ethylamino)-2-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pentanenitrile
CID 63171363
methyl 2-methyl-2-(methylamino)-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoate
CID 79163896
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-amino-2-methylpentanoic acid
CID 79945932

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pentanoate?
The IUPAC name of methyl 2-amino-2-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pentanoate (CID 63170970) is methyl 2-amino-2-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pentanoate.
What is the SMILES notation for methyl 2-amino-2-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pentanoate?
The canonical SMILES for methyl 2-amino-2-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pentanoate is COC(=O)C(C)(N)CCCN1CCC(N2CCOCC2)C1.
What is the InChIKey of methyl 2-amino-2-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pentanoate?
The InChIKey is PXFOIWFMQSBIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-15(16,14(19)20-2)5-3-6-17-7-4-13(12-17)18-8-10-21-11-9-18/h13H,3-12,16H2,1-2H3.
What are the key properties of methyl 2-amino-2-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pentanoate?
methyl 2-amino-2-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pentanoate has a molecular weight of 299.41 g/mol, XLogP of 0.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pentanoate is sourced from PubChem (CID 63170970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).