methyl 6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoate

C13H19N3O4 — CID 43431761

IUPACmethyl 6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)Cn1cccnc1=O
InChIInChI=1S/C13H19N3O4/c1-20-12(18)6-3-2-4-7-14-11(17)10-16-9-5-8-15-13(16)19/h5,8-9H,2-4,6-7,10H2,1H3,(H,14,17)
InChIKeyFVCXWQJZNUBSDX-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.09
Rot. Bonds8

About methyl 6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoate

methyl 6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoate (PubChem CID 43431761) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoate
PubChem CID43431761
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Namemethyl 6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)Cn1cccnc1=O
InChIInChI=1S/C13H19N3O4/c1-20-12(18)6-3-2-4-7-14-11(17)10-16-9-5-8-15-13(16)19/h5,8-9H,2-4,6-7,10H2,1H3,(H,14,17)
InChIKeyFVCXWQJZNUBSDX-UHFFFAOYSA-N
XLogP0.09
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]hexanoic acid
CID 43170021
7-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]heptanoic acid
CID 43358962
Methyl 4-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoate
CID 43431552
2-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]hexanoic acid
CID 43469694
4-Ethyl-6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid
CID 64350215
4-Methyl-6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid
CID 64363918
4,4-Dimethyl-6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid
CID 65284462
(3S)-5-methyl-3-[[[2-(2-oxopyrimidin-1-yl)acetyl]amino]methyl]hexanoic acid
CID 65494312
5-Methyl-3-[[[2-(2-oxopyrimidin-1-yl)acetyl]amino]methyl]hexanoic acid
CID 65494770
3-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]hexanoic acid
CID 81981258
5-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]hexanoic acid
CID 82854161
(2S)-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid
CID 113922735

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoate?
The IUPAC name of methyl 6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoate (CID 43431761) is methyl 6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoate.
What is the SMILES notation for methyl 6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoate?
The canonical SMILES for methyl 6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoate is COC(=O)CCCCCNC(=O)Cn1cccnc1=O.
What is the InChIKey of methyl 6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoate?
The InChIKey is FVCXWQJZNUBSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-20-12(18)6-3-2-4-7-14-11(17)10-16-9-5-8-15-13(16)19/h5,8-9H,2-4,6-7,10H2,1H3,(H,14,17).
What are the key properties of methyl 6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoate?
methyl 6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoate has a molecular weight of 281.31 g/mol, XLogP of 0.09, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoate is sourced from PubChem (CID 43431761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).