methyl 4-hydroxy-5-(2-pyridin-2-ylethylamino)pentanoate

C13H20N2O3 — CID 115123641

IUPACmethyl 4-hydroxy-5-(2-pyridin-2-ylethylamino)pentanoate
SMILESCOC(=O)CCC(O)CNCCc1ccccn1
InChIInChI=1S/C13H20N2O3/c1-18-13(17)6-5-12(16)10-14-9-7-11-4-2-3-8-15-11/h2-4,8,12,14,16H,5-7,9-10H2,1H3
InChIKeyBCYXETAMQQVEIC-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.53
Rot. Bonds8

About methyl 4-hydroxy-5-(2-pyridin-2-ylethylamino)pentanoate

methyl 4-hydroxy-5-(2-pyridin-2-ylethylamino)pentanoate (PubChem CID 115123641) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is methyl 4-hydroxy-5-(2-pyridin-2-ylethylamino)pentanoate.

Molecular Properties

Compound Namemethyl 4-hydroxy-5-(2-pyridin-2-ylethylamino)pentanoate
PubChem CID115123641
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Namemethyl 4-hydroxy-5-(2-pyridin-2-ylethylamino)pentanoate
SMILESCOC(=O)CCC(O)CNCCc1ccccn1
InChIInChI=1S/C13H20N2O3/c1-18-13(17)6-5-12(16)10-14-9-7-11-4-2-3-8-15-11/h2-4,8,12,14,16H,5-7,9-10H2,1H3
InChIKeyBCYXETAMQQVEIC-UHFFFAOYSA-N
XLogP0.53
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-(2-pyridin-2-ylethylamino)propane-1,2-diol
CID 61149855
methyl 4-hydroxy-5-(pyridin-2-ylamino)pentanoate
CID 115123515
methyl 2-acetamido-3-(2-pyridin-2-ylethylamino)propanoate
CID 103233877
1-(4-chlorophenoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 60635632
3-(2-pyridin-2-ylethylamino)propanoic acid
CID 28830364
1-[bis(2-pyridin-2-ylethyl)amino]-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 101479636
(2R)-1-phenylmethoxy-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 140879411
methyl 4-(2-pyridin-2-ylethylsulfamoyl)butanoate
CID 61460319
2-methyl-3-(2-pyridin-2-ylethylamino)propan-1-ol
CID 65036147
tert-butyl 2-(2-pyridin-2-ylethylamino)acetate
CID 60680814
1-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
CID 115196859
1-cyclopentyl-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 103157099

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-5-(2-pyridin-2-ylethylamino)pentanoate?
The IUPAC name of methyl 4-hydroxy-5-(2-pyridin-2-ylethylamino)pentanoate (CID 115123641) is methyl 4-hydroxy-5-(2-pyridin-2-ylethylamino)pentanoate.
What is the SMILES notation for methyl 4-hydroxy-5-(2-pyridin-2-ylethylamino)pentanoate?
The canonical SMILES for methyl 4-hydroxy-5-(2-pyridin-2-ylethylamino)pentanoate is COC(=O)CCC(O)CNCCc1ccccn1.
What is the InChIKey of methyl 4-hydroxy-5-(2-pyridin-2-ylethylamino)pentanoate?
The InChIKey is BCYXETAMQQVEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-18-13(17)6-5-12(16)10-14-9-7-11-4-2-3-8-15-11/h2-4,8,12,14,16H,5-7,9-10H2,1H3.
What are the key properties of methyl 4-hydroxy-5-(2-pyridin-2-ylethylamino)pentanoate?
methyl 4-hydroxy-5-(2-pyridin-2-ylethylamino)pentanoate has a molecular weight of 252.31 g/mol, XLogP of 0.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-5-(2-pyridin-2-ylethylamino)pentanoate is sourced from PubChem (CID 115123641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).