2-methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid

C13H17N3O4 — CID 104594983

IUPAC2-methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1C(=O)Cn1cccnc1=O
InChIInChI=1S/C13H17N3O4/c1-13(11(18)19)5-2-3-8-16(13)10(17)9-15-7-4-6-14-12(15)20/h4,6-7H,2-3,5,8-9H2,1H3,(H,18,19)
InChIKeyDFMFLWDVTHNEHI-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.10
Rot. Bonds3

About 2-methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid

2-methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid (PubChem CID 104594983) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid
PubChem CID104594983
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name2-methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1C(=O)Cn1cccnc1=O
InChIInChI=1S/C13H17N3O4/c1-13(11(18)19)5-2-3-8-16(13)10(17)9-15-7-4-6-14-12(15)20/h4,6-7H,2-3,5,8-9H2,1H3,(H,18,19)
InChIKeyDFMFLWDVTHNEHI-UHFFFAOYSA-N
XLogP0.10
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 43172030
1-[2-(2-Oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid
CID 43355988
1-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43360222
2-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]hexanoic acid
CID 43469694
2-Methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 43618689
2-[1-[2-(2-Oxopyrimidin-1-yl)acetyl]piperidin-2-yl]acetic acid
CID 61010091
3-[1-[2-(2-Oxopyrimidin-1-yl)acetyl]piperidin-3-yl]propanoic acid
CID 61706893
3-[1-[2-(2-Oxopyrimidin-1-yl)acetyl]piperidin-4-yl]propanoic acid
CID 62218176
2-[1-[2-(2-Oxopyrimidin-1-yl)acetyl]piperidin-3-yl]acetic acid
CID 62689562
2-Methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 64372466
(2S)-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid
CID 66264280
Methyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylate
CID 78986617

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid (CID 104594983) is 2-methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid is CC1(C(=O)O)CCCCN1C(=O)Cn1cccnc1=O.
What is the InChIKey of 2-methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid?
The InChIKey is DFMFLWDVTHNEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-13(11(18)19)5-2-3-8-16(13)10(17)9-15-7-4-6-14-12(15)20/h4,6-7H,2-3,5,8-9H2,1H3,(H,18,19).
What are the key properties of 2-methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid?
2-methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 104594983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).