3-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid

C14H17N3O3 — CID 61009236

IUPAC3-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)Cc1cc(=O)n2ccccc2n1
InChIInChI=1S/C14H17N3O3/c1-2-16(8-6-14(19)20)10-11-9-13(18)17-7-4-3-5-12(17)15-11/h3-5,7,9H,2,6,8,10H2,1H3,(H,19,20)
InChIKeyAMGIDHXXPQOKSU-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.99
Rot. Bonds6

About 3-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid

3-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid (PubChem CID 61009236) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid
PubChem CID61009236
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name3-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)Cc1cc(=O)n2ccccc2n1
InChIInChI=1S/C14H17N3O3/c1-2-16(8-6-14(19)20)10-11-9-13(18)17-7-4-3-5-12(17)15-11/h3-5,7,9H,2,6,8,10H2,1H3,(H,19,20)
InChIKeyAMGIDHXXPQOKSU-UHFFFAOYSA-N
XLogP0.99
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[ethyl-[(4-methylphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 50787902
2-[methyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid
CID 62639822
N-(5-chloro-2-methylphenyl)-2-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide
CID 18199923
2-[ethyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid
CID 61013216
3-[ethyl(pyridin-2-ylmethyl)amino]propanoic acid
CID 61010631
2-[[1-methoxypropan-2-yl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42930399
3-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-methylamino]propanoic acid
CID 60988188
2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one
CID 60671768
2-[[ethyl(3-hydroxypropyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 115666446
2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 51250244
2-[(ethoxyamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60702906
2-[(pentan-3-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60672100

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid (CID 61009236) is 3-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid is CCN(CCC(=O)O)Cc1cc(=O)n2ccccc2n1.
What is the InChIKey of 3-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid?
The InChIKey is AMGIDHXXPQOKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-2-16(8-6-14(19)20)10-11-9-13(18)17-7-4-3-5-12(17)15-11/h3-5,7,9H,2,6,8,10H2,1H3,(H,19,20).
What are the key properties of 3-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid?
3-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid has a molecular weight of 275.31 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid is sourced from PubChem (CID 61009236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).