methyl 3-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoate

C12H17N3O4 — CID 43431554

IUPACmethyl 3-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoate
SMILESCOC(=O)C(NC(=O)Cn1cccnc1=O)C(C)C
InChIInChI=1S/C12H17N3O4/c1-8(2)10(11(17)19-3)14-9(16)7-15-6-4-5-13-12(15)18/h4-6,8,10H,7H2,1-3H3,(H,14,16)
InChIKeyPISOKWMRUCWBIO-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.44
Rot. Bonds5

About methyl 3-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoate

methyl 3-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoate (PubChem CID 43431554) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is methyl 3-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoate
PubChem CID43431554
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Namemethyl 3-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoate
SMILESCOC(=O)C(NC(=O)Cn1cccnc1=O)C(C)C
InChIInChI=1S/C12H17N3O4/c1-8(2)10(11(17)19-3)14-9(16)7-15-6-4-5-13-12(15)18/h4-6,8,10H,7H2,1-3H3,(H,14,16)
InChIKeyPISOKWMRUCWBIO-UHFFFAOYSA-N
XLogP-0.44
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoate with MolForge

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Related Compounds

methyl (2S)-3-methyl-2-[[2-(4-methylsulfanyl-2-oxopyrimidin-1-yl)acetyl]amino]butanoate
CID 56963836
methyl (2S)-3-methyl-2-[[2-(6-methyl-4-methylsulfanyl-2-oxopyrimidin-1-yl)acetyl]amino]butanoate
CID 56963939
4-Methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 43170148
3-Methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43170393
3-Methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 43356432
Methyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate
CID 43431551
Methyl 4-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoate
CID 43431552
3,3-Dimethyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43467500
2-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43469357
Methyl 2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoate
CID 43623952
Methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxopyrimidin-1-yl)propanoate
CID 53468907
Ethyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate
CID 60811643

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoate?
The IUPAC name of methyl 3-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoate (CID 43431554) is methyl 3-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoate.
What is the SMILES notation for methyl 3-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoate?
The canonical SMILES for methyl 3-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoate is COC(=O)C(NC(=O)Cn1cccnc1=O)C(C)C.
What is the InChIKey of methyl 3-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoate?
The InChIKey is PISOKWMRUCWBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-8(2)10(11(17)19-3)14-9(16)7-15-6-4-5-13-12(15)18/h4-6,8,10H,7H2,1-3H3,(H,14,16).
What are the key properties of methyl 3-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoate?
methyl 3-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoate has a molecular weight of 267.28 g/mol, XLogP of -0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoate is sourced from PubChem (CID 43431554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).