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

C14H19N3O4 — CID 43360676

IUPAC1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cycloheptane-1-carboxylic acid
SMILESO=C(Cn1cccnc1=O)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C14H19N3O4/c18-11(10-17-9-5-8-15-13(17)21)16-14(12(19)20)6-3-1-2-4-7-14/h5,8-9H,1-4,6-7,10H2,(H,16,18)(H,19,20)
InChIKeyOKBFMHDYSQHKNG-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.54
Rot. Bonds4

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

1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cycloheptane-1-carboxylic acid (PubChem CID 43360676) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cycloheptane-1-carboxylic acid
PubChem CID43360676
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cycloheptane-1-carboxylic acid
SMILESO=C(Cn1cccnc1=O)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C14H19N3O4/c18-11(10-17-9-5-8-15-13(17)21)16-14(12(19)20)6-3-1-2-4-7-14/h5,8-9H,1-4,6-7,10H2,(H,16,18)(H,19,20)
InChIKeyOKBFMHDYSQHKNG-UHFFFAOYSA-N
XLogP0.54
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 43172030
7-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]heptanoic acid
CID 43358962
1-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43360222
4-Methyl-1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 43360589
2-Methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 43618689
2-Cyclohexyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
CID 61015146
3-Methyl-1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 61291089
2-Methyl-1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 61295235
3-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 63044010
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
N-[(1-hydroxycycloheptyl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 64460520

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cycloheptane-1-carboxylic acid (CID 43360676) is 1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cycloheptane-1-carboxylic acid is O=C(Cn1cccnc1=O)NC1(C(=O)O)CCCCCC1.
What is the InChIKey of 1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cycloheptane-1-carboxylic acid?
The InChIKey is OKBFMHDYSQHKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c18-11(10-17-9-5-8-15-13(17)21)16-14(12(19)20)6-3-1-2-4-7-14/h5,8-9H,1-4,6-7,10H2,(H,16,18)(H,19,20).
What are the key properties of 1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cycloheptane-1-carboxylic acid?
1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cycloheptane-1-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 43360676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).