2-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid

C13H22N2O3 — CID 64851846

IUPAC2-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid
SMILESNC1CCCCC1C(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C13H22N2O3/c14-10-6-2-1-4-8(10)12(16)15-11-7-3-5-9(11)13(17)18/h8-11H,1-7,14H2,(H,15,16)(H,17,18)
InChIKeyPDBJEPYQTKOZQI-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.87
Rot. Bonds3

About 2-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid

2-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 64851846) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID64851846
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid
SMILESNC1CCCCC1C(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C13H22N2O3/c14-10-6-2-1-4-8(10)12(16)15-11-7-3-5-9(11)13(17)18/h8-11H,1-7,14H2,(H,15,16)(H,17,18)
InChIKeyPDBJEPYQTKOZQI-UHFFFAOYSA-N
XLogP0.87
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-2-amino-N-[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-carbamoylcyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]cyclohexane-1-carboxamide
CID 102212864
2-amino-N-[2-(hydroxymethyl)cyclopentyl]cyclohexane-1-carboxamide
CID 103811440
2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]cycloheptane-1-carboxamide
CID 107221615
2-[(2-methylcyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid
CID 107175594
2-(cyclopentanecarbonylamino)cyclopentane-1-carboxylic acid
CID 64814347
3-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 66030768
trans-(1S,2S)-2-[[(1S,2R)-2-[[(1S,2R)-2-carboxycyclohexanecarbonyl]amino]cyclohexyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124780718
cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid
CID 2724639
2-amino-N-cyclohexylcyclopentane-1-carboxamide
CID 64817156
2-amino-N-cyclopentylcyclohexane-1-carboxamide
CID 62777872
cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid;hydrobromide
CID 24751167
trans-(1S,2S)-2-aminocyclopentane-1-carboxylic acid;hydrochloride
CID 56971751

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid (CID 64851846) is 2-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid is NC1CCCCC1C(=O)NC1CCCC1C(=O)O.
What is the InChIKey of 2-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is PDBJEPYQTKOZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c14-10-6-2-1-4-8(10)12(16)15-11-7-3-5-9(11)13(17)18/h8-11H,1-7,14H2,(H,15,16)(H,17,18).
What are the key properties of 2-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid?
2-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64851846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).