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

C13H25N3O3 — CID 55160526

IUPACmethyl 2-amino-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate
SMILESCOC(=O)C(N)CCN1CCC(N2CCOCC2)C1
InChIInChI=1S/C13H25N3O3/c1-18-13(17)12(14)3-5-15-4-2-11(10-15)16-6-8-19-9-7-16/h11-12H,2-10,14H2,1H3
InChIKeyCUNZHVSMZHRZBI-UHFFFAOYSA-N
MW271.36 g/mol
LogP-0.72
Rot. Bonds5

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

methyl 2-amino-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate (PubChem CID 55160526) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is methyl 2-amino-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate.

Molecular Properties

Compound Namemethyl 2-amino-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate
PubChem CID55160526
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Namemethyl 2-amino-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate
SMILESCOC(=O)C(N)CCN1CCC(N2CCOCC2)C1
InChIInChI=1S/C13H25N3O3/c1-18-13(17)12(14)3-5-15-4-2-11(10-15)16-6-8-19-9-7-16/h11-12H,2-10,14H2,1H3
InChIKeyCUNZHVSMZHRZBI-UHFFFAOYSA-N
XLogP-0.72
TPSA68.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid
CID 63171453
ethyl 2-(methylamino)-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate
CID 63171014
2-amino-2-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid
CID 63171016
methyl 2-amino-2-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pentanoate
CID 63170970
methyl 2-(3-morpholin-4-ylpyrrolidin-1-yl)propanoate
CID 63170571
2-(ethylamino)-4-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-ol
CID 64791294
methyl 2-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)but-2-enoate
CID 77074133
N-(cyclopropylmethyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine
CID 55159927
methyl 2-amino-4-(3-methylpiperidin-1-yl)butanoate
CID 63028190
N-methyl-6-(3-morpholin-4-ylpyrrolidin-1-yl)hexan-2-amine
CID 63169704
2,2-dimethyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid
CID 65248073
4-(3-morpholin-4-ylpyrrolidin-1-yl)-2-(propan-2-ylamino)butanenitrile
CID 63171009

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate?
The IUPAC name of methyl 2-amino-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate (CID 55160526) is methyl 2-amino-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate.
What is the SMILES notation for methyl 2-amino-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate?
The canonical SMILES for methyl 2-amino-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate is COC(=O)C(N)CCN1CCC(N2CCOCC2)C1.
What is the InChIKey of methyl 2-amino-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate?
The InChIKey is CUNZHVSMZHRZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-18-13(17)12(14)3-5-15-4-2-11(10-15)16-6-8-19-9-7-16/h11-12H,2-10,14H2,1H3.
What are the key properties of methyl 2-amino-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate?
methyl 2-amino-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate has a molecular weight of 271.36 g/mol, XLogP of -0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate is sourced from PubChem (CID 55160526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).