methyl 4-hydroxy-5-[(1-methylpyrrolidin-3-yl)amino]pentanoate

C11H22N2O3 — CID 115123524

IUPACmethyl 4-hydroxy-5-[(1-methylpyrrolidin-3-yl)amino]pentanoate
SMILESCOC(=O)CCC(O)CNC1CCN(C)C1
InChIInChI=1S/C11H22N2O3/c1-13-6-5-9(8-13)12-7-10(14)3-4-11(15)16-2/h9-10,12,14H,3-8H2,1-2H3
InChIKeyHCLADFHYWJZWQH-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.41
Rot. Bonds6

About methyl 4-hydroxy-5-[(1-methylpyrrolidin-3-yl)amino]pentanoate

methyl 4-hydroxy-5-[(1-methylpyrrolidin-3-yl)amino]pentanoate (PubChem CID 115123524) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is methyl 4-hydroxy-5-[(1-methylpyrrolidin-3-yl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 4-hydroxy-5-[(1-methylpyrrolidin-3-yl)amino]pentanoate
PubChem CID115123524
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Namemethyl 4-hydroxy-5-[(1-methylpyrrolidin-3-yl)amino]pentanoate
SMILESCOC(=O)CCC(O)CNC1CCN(C)C1
InChIInChI=1S/C11H22N2O3/c1-13-6-5-9(8-13)12-7-10(14)3-4-11(15)16-2/h9-10,12,14H,3-8H2,1-2H3
InChIKeyHCLADFHYWJZWQH-UHFFFAOYSA-N
XLogP-0.41
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-5-[(1-methylpiperidin-3-yl)amino]pentanoic acid
CID 115122599
methyl 4-hydroxy-5-[methyl-(1-methylpyrrolidin-3-yl)amino]pentanoate
CID 115123565
methyl 5-(cyclopentylmethylamino)-4-hydroxypentanoate
CID 115123592
1-[(1-methylpiperidin-4-yl)amino]pentan-2-ol
CID 115676989
3-hydroxy-4-[(1-methylpiperidin-3-yl)amino]butanoic acid
CID 115122911
methyl 3-[(1-methylpyrrolidin-3-yl)amino]-3-oxopropanoate
CID 115174182
3-methyl-2-[[(1-methylpyrrolidin-3-yl)amino]methyl]butanoic acid
CID 115250234
methyl (4R)-4-hydroxy-5-(methylamino)pentanoate
CID 129125188
2-methoxy-N-[(3R)-1-methylpyrrolidin-3-yl]acetamide
CID 90442595
1-[(1-methylpyrrolidin-3-yl)amino]-3-phenylmethoxypropan-2-ol
CID 61462412
1-(4-fluorophenoxy)-3-[(1-methylpyrrolidin-3-yl)amino]propan-2-ol
CID 61462344
1-[(1-methylpyrrolidin-3-yl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 61462108

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-5-[(1-methylpyrrolidin-3-yl)amino]pentanoate?
The IUPAC name of methyl 4-hydroxy-5-[(1-methylpyrrolidin-3-yl)amino]pentanoate (CID 115123524) is methyl 4-hydroxy-5-[(1-methylpyrrolidin-3-yl)amino]pentanoate.
What is the SMILES notation for methyl 4-hydroxy-5-[(1-methylpyrrolidin-3-yl)amino]pentanoate?
The canonical SMILES for methyl 4-hydroxy-5-[(1-methylpyrrolidin-3-yl)amino]pentanoate is COC(=O)CCC(O)CNC1CCN(C)C1.
What is the InChIKey of methyl 4-hydroxy-5-[(1-methylpyrrolidin-3-yl)amino]pentanoate?
The InChIKey is HCLADFHYWJZWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-13-6-5-9(8-13)12-7-10(14)3-4-11(15)16-2/h9-10,12,14H,3-8H2,1-2H3.
What are the key properties of methyl 4-hydroxy-5-[(1-methylpyrrolidin-3-yl)amino]pentanoate?
methyl 4-hydroxy-5-[(1-methylpyrrolidin-3-yl)amino]pentanoate has a molecular weight of 230.31 g/mol, XLogP of -0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-5-[(1-methylpyrrolidin-3-yl)amino]pentanoate is sourced from PubChem (CID 115123524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).