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

C13H17N3O4 — CID 82760350

IUPAC1-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)Cn1cccnc1=O
InChIInChI=1S/C13H17N3O4/c1-13(11(18)19)5-2-4-9(13)15-10(17)8-16-7-3-6-14-12(16)20/h3,6-7,9H,2,4-5,8H2,1H3,(H,15,17)(H,18,19)
InChIKeyIZGBVCMDLLCMND-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.00
Rot. Bonds4

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

1-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 82760350) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 1-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID82760350
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name1-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)Cn1cccnc1=O
InChIInChI=1S/C13H17N3O4/c1-13(11(18)19)5-2-4-9(13)15-10(17)8-16-7-3-6-14-12(16)20/h3,6-7,9H,2,4-5,8H2,1H3,(H,15,17)(H,18,19)
InChIKeyIZGBVCMDLLCMND-UHFFFAOYSA-N
XLogP0.00
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid (CID 82760350) is 1-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid is CC1(C(=O)O)CCCC1NC(=O)Cn1cccnc1=O.
What is the InChIKey of 1-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is IZGBVCMDLLCMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-13(11(18)19)5-2-4-9(13)15-10(17)8-16-7-3-6-14-12(16)20/h3,6-7,9H,2,4-5,8H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 1-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
1-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82760350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).