1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cycloheptane-1-carboxylic acid

C12H17N3O4 — CID 43341591

IUPAC1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cycloheptane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCCC1)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C12H17N3O4/c16-9(8-7-13-11(19)14-8)15-12(10(17)18)5-3-1-2-4-6-12/h7H,1-6H2,(H,15,16)(H,17,18)(H2,13,14,19)
InChIKeyXSOHYXJFZUFJHI-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.61
Rot. Bonds3

About 1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cycloheptane-1-carboxylic acid

1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cycloheptane-1-carboxylic acid (PubChem CID 43341591) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cycloheptane-1-carboxylic acid
PubChem CID43341591
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cycloheptane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCCC1)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C12H17N3O4/c16-9(8-7-13-11(19)14-8)15-12(10(17)18)5-3-1-2-4-6-12/h7H,1-6H2,(H,15,16)(H,17,18)(H2,13,14,19)
InChIKeyXSOHYXJFZUFJHI-UHFFFAOYSA-N
XLogP0.61
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-Amino-2-oxoethyl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 16782461
1-[[2-(Ethylamino)-2-oxoethyl]carbamoylamino]cycloheptane-1-carboxylic acid
CID 16788878
1-[(2-Oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 28791141
7-[(2-Oxo-1,3-dihydroimidazole-4-carbonyl)amino]heptanoic acid
CID 28791175
1-[(2-Oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43162947
1-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 43163206
4-Methyl-1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43341377
4-Ethyl-1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43341504
1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 43341582
1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 43341629
2-Cyclohexyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid
CID 54902049
1-(2-Acetamidoethylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 61201511

Frequently Asked Questions

What is the IUPAC name of 1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cycloheptane-1-carboxylic acid (CID 43341591) is 1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cycloheptane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCCCC1)c1c[nH]c(=O)[nH]1.
What is the InChIKey of 1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cycloheptane-1-carboxylic acid?
The InChIKey is XSOHYXJFZUFJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c16-9(8-7-13-11(19)14-8)15-12(10(17)18)5-3-1-2-4-6-12/h7H,1-6H2,(H,15,16)(H,17,18)(H2,13,14,19).
What are the key properties of 1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cycloheptane-1-carboxylic acid?
1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cycloheptane-1-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 0.61, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 43341591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).