1-[[(5-oxopiperazine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid

C13H21N3O4 — CID 107437337

IUPAC1-[[(5-oxopiperazine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C1CNC(C(=O)NCC2(C(=O)O)CCCCC2)CN1
InChIInChI=1S/C13H21N3O4/c17-10-7-14-9(6-15-10)11(18)16-8-13(12(19)20)4-2-1-3-5-13/h9,14H,1-8H2,(H,15,17)(H,16,18)(H,19,20)
InChIKeyNJXQVYSGZSJCJM-UHFFFAOYSA-N
MW283.33 g/mol
LogP-0.77
Rot. Bonds4

About 1-[[(5-oxopiperazine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid

1-[[(5-oxopiperazine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 107437337) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-[[(5-oxopiperazine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(5-oxopiperazine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID107437337
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name1-[[(5-oxopiperazine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C1CNC(C(=O)NCC2(C(=O)O)CCCCC2)CN1
InChIInChI=1S/C13H21N3O4/c17-10-7-14-9(6-15-10)11(18)16-8-13(12(19)20)4-2-1-3-5-13/h9,14H,1-8H2,(H,15,17)(H,16,18)(H,19,20)
InChIKeyNJXQVYSGZSJCJM-UHFFFAOYSA-N
XLogP-0.77
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 5-0.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-hydroxycyclobutyl)methyl]-5-oxopiperazine-2-carboxamide
CID 107437701
N-[(1-ethylcyclobutyl)methyl]-5-oxopiperazine-2-carboxamide
CID 114107831
N-[1-(hydroxymethyl)cyclopropyl]-5-oxopiperazine-2-carboxamide
CID 107437680
1-[[(5-oxopyrrolidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 114156297
N-(2-amino-2-oxoethyl)-5-oxopiperazine-2-carboxamide
CID 107433351
1-[[(6-oxopiperidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115434341
1-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449520
1-[(thiomorpholine-3-carbonylamino)methyl]cycloheptane-1-carboxylic acid
CID 82918104
N-[(2R)-2-hydroxypropyl]-5-oxopiperazine-2-carboxamide
CID 107437971
1-[(cyclohexanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 69400249
3-ethyl-1-(5-oxopiperazine-2-carbonyl)piperidine-3-carboxylic acid
CID 107436436
5-[[(5-oxopiperazine-2-carbonyl)amino]methyl]oxolane-2-carboxylic acid
CID 107437075

Frequently Asked Questions

What is the IUPAC name of 1-[[(5-oxopiperazine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[(5-oxopiperazine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (CID 107437337) is 1-[[(5-oxopiperazine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[(5-oxopiperazine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[(5-oxopiperazine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is O=C1CNC(C(=O)NCC2(C(=O)O)CCCCC2)CN1.
What is the InChIKey of 1-[[(5-oxopiperazine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is NJXQVYSGZSJCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c17-10-7-14-9(6-15-10)11(18)16-8-13(12(19)20)4-2-1-3-5-13/h9,14H,1-8H2,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 1-[[(5-oxopiperazine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
1-[[(5-oxopiperazine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 283.33 g/mol, XLogP of -0.77, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-oxopiperazine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 107437337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).