2-[(2-aminocyclohexanecarbonyl)amino]-2-cyclohexylacetic acid

C15H26N2O3 — CID 64822459

IUPAC2-[(2-aminocyclohexanecarbonyl)amino]-2-cyclohexylacetic acid
SMILESNC1CCCCC1C(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C15H26N2O3/c16-12-9-5-4-8-11(12)14(18)17-13(15(19)20)10-6-2-1-3-7-10/h10-13H,1-9,16H2,(H,17,18)(H,19,20)
InChIKeyMTABUHCGJIGCAJ-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.65
Rot. Bonds4

About 2-[(2-aminocyclohexanecarbonyl)amino]-2-cyclohexylacetic acid

2-[(2-aminocyclohexanecarbonyl)amino]-2-cyclohexylacetic acid (PubChem CID 64822459) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[(2-aminocyclohexanecarbonyl)amino]-2-cyclohexylacetic acid.

Molecular Properties

Compound Name2-[(2-aminocyclohexanecarbonyl)amino]-2-cyclohexylacetic acid
PubChem CID64822459
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[(2-aminocyclohexanecarbonyl)amino]-2-cyclohexylacetic acid
SMILESNC1CCCCC1C(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C15H26N2O3/c16-12-9-5-4-8-11(12)14(18)17-13(15(19)20)10-6-2-1-3-7-10/h10-13H,1-9,16H2,(H,17,18)(H,19,20)
InChIKeyMTABUHCGJIGCAJ-UHFFFAOYSA-N
XLogP1.65
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-aminocyclohexanecarbonyl)amino]-2-cyclopropylacetic acid
CID 64824819
2-amino-N-[(1S)-1-cycloheptylethyl]cycloheptane-1-carboxamide
CID 81392541
2-[(2-aminocyclohexanecarbonyl)amino]-3-hydroxypropanoic acid
CID 64824797
2-amino-N-propan-2-ylcyclooctane-1-carboxamide;hydrochloride
CID 119668927
2-[(2-aminocyclopentanecarbonyl)amino]-3-hydroxypropanoic acid
CID 64824798
(2R)-2-[(2-aminocyclohexanecarbonyl)amino]-3,3-dimethylbutanoic acid
CID 103927341
2-amino-N-cyclooctylcyclohexane-1-carboxamide
CID 62775417
cis-(1R,2S)-2-amino-N-propan-2-ylcyclopentane-1-carboxamide
CID 67437509
2-amino-N-cyclohexylcyclopentane-1-carboxamide
CID 64817156
(2R)-2-[(2-aminocycloheptanecarbonyl)amino]-4-methylsulfanylbutanoic acid
CID 104909206
(2R)-5-amino-2-[(2-aminocyclohexanecarbonyl)amino]-5-oxopentanoic acid
CID 107830206
2-amino-N-cyclopentylcyclohexane-1-carboxamide
CID 62777872

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminocyclohexanecarbonyl)amino]-2-cyclohexylacetic acid?
The IUPAC name of 2-[(2-aminocyclohexanecarbonyl)amino]-2-cyclohexylacetic acid (CID 64822459) is 2-[(2-aminocyclohexanecarbonyl)amino]-2-cyclohexylacetic acid.
What is the SMILES notation for 2-[(2-aminocyclohexanecarbonyl)amino]-2-cyclohexylacetic acid?
The canonical SMILES for 2-[(2-aminocyclohexanecarbonyl)amino]-2-cyclohexylacetic acid is NC1CCCCC1C(=O)NC(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-[(2-aminocyclohexanecarbonyl)amino]-2-cyclohexylacetic acid?
The InChIKey is MTABUHCGJIGCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c16-12-9-5-4-8-11(12)14(18)17-13(15(19)20)10-6-2-1-3-7-10/h10-13H,1-9,16H2,(H,17,18)(H,19,20).
What are the key properties of 2-[(2-aminocyclohexanecarbonyl)amino]-2-cyclohexylacetic acid?
2-[(2-aminocyclohexanecarbonyl)amino]-2-cyclohexylacetic acid has a molecular weight of 282.38 g/mol, XLogP of 1.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminocyclohexanecarbonyl)amino]-2-cyclohexylacetic acid is sourced from PubChem (CID 64822459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).