1-[(1-aminocyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid

C13H22N2O3 — CID 61158699

IUPAC1-[(1-aminocyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid
SMILESNC1(C(=O)NC2(C(=O)O)CCCCC2)CCCC1
InChIInChI=1S/C13H22N2O3/c14-12(6-4-5-7-12)10(16)15-13(11(17)18)8-2-1-3-9-13/h1-9,14H2,(H,15,16)(H,17,18)
InChIKeyBTQSGRPCWSSPAC-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.16
Rot. Bonds3

About 1-[(1-aminocyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid

1-[(1-aminocyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 61158699) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[(1-aminocyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-aminocyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID61158699
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-[(1-aminocyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid
SMILESNC1(C(=O)NC2(C(=O)O)CCCCC2)CCCC1
InChIInChI=1S/C13H22N2O3/c14-12(6-4-5-7-12)10(16)15-13(11(17)18)8-2-1-3-9-13/h1-9,14H2,(H,15,16)(H,17,18)
InChIKeyBTQSGRPCWSSPAC-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-aminooxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64892980
1-aminocyclotridecane-1-carboxylic acid
CID 53441426
1-aminocyclohenicosane-1-carboxylic acid
CID 101359672
1-aminocyclopentane-1-carboxylic acid
CID 2901
1-[[(2R)-2-aminopropanoyl]amino]cyclohexane-1-carboxylic acid
CID 10632420
1-(ethoxycarbonylamino)cyclohexane-1-carboxylic acid
CID 24699851
1-(prop-2-ynoylamino)cyclohexane-1-carboxylic acid
CID 24708743
1-amino-N-(1-isocyanatocyclopropyl)cyclohexane-1-carboxamide
CID 175300296
1-amino-N',N'-dimethylcyclohexane-1-carbohydrazide
CID 83021408
1-[(4-ethylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63128909
1-(2-aminobutanoylamino)cyclohexane-1-carboxylic acid
CID 61158693
1-[(3-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 64676761

Frequently Asked Questions

What is the IUPAC name of 1-[(1-aminocyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(1-aminocyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid (CID 61158699) is 1-[(1-aminocyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-aminocyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(1-aminocyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid is NC1(C(=O)NC2(C(=O)O)CCCCC2)CCCC1.
What is the InChIKey of 1-[(1-aminocyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is BTQSGRPCWSSPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c14-12(6-4-5-7-12)10(16)15-13(11(17)18)8-2-1-3-9-13/h1-9,14H2,(H,15,16)(H,17,18).
What are the key properties of 1-[(1-aminocyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid?
1-[(1-aminocyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-aminocyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61158699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).