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

C12H20N2O3 — CID 64824819

IUPAC2-[(2-aminocyclohexanecarbonyl)amino]-2-cyclopropylacetic acid
SMILESNC1CCCCC1C(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C12H20N2O3/c13-9-4-2-1-3-8(9)11(15)14-10(12(16)17)7-5-6-7/h7-10H,1-6,13H2,(H,14,15)(H,16,17)
InChIKeyCHEUUHPLCYJCIV-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.48
Rot. Bonds4

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

2-[(2-aminocyclohexanecarbonyl)amino]-2-cyclopropylacetic acid (PubChem CID 64824819) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[(2-aminocyclohexanecarbonyl)amino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[(2-aminocyclohexanecarbonyl)amino]-2-cyclopropylacetic acid
PubChem CID64824819
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-[(2-aminocyclohexanecarbonyl)amino]-2-cyclopropylacetic acid
SMILESNC1CCCCC1C(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C12H20N2O3/c13-9-4-2-1-3-8(9)11(15)14-10(12(16)17)7-5-6-7/h7-10H,1-6,13H2,(H,14,15)(H,16,17)
InChIKeyCHEUUHPLCYJCIV-UHFFFAOYSA-N
XLogP0.48
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-aminocyclohexanecarbonyl)amino]-2-cyclohexylacetic acid
CID 64822459
2-[(2-aminocyclohexanecarbonyl)amino]-3-hydroxypropanoic acid
CID 64824797
2-[(2-aminocyclopentanecarbonyl)amino]-3-hydroxypropanoic acid
CID 64824798
(2R)-2-[(2-aminocyclohexanecarbonyl)amino]-3,3-dimethylbutanoic acid
CID 103927341
2-amino-N-propan-2-ylcyclooctane-1-carboxamide;hydrochloride
CID 119668927
2-amino-N-[(1S)-1-cycloheptylethyl]cycloheptane-1-carboxamide
CID 81392541
cis-(1R,2S)-2-amino-N-propan-2-ylcyclopentane-1-carboxamide
CID 67437509
(2R)-5-amino-2-[(2-aminocyclohexanecarbonyl)amino]-5-oxopentanoic acid
CID 107830206
2-[(2-aminocyclohexanecarbonyl)amino]-4-methoxybutanoic acid
CID 64824444
(2S)-3-[(2-aminocyclohexanecarbonyl)amino]-2-hydroxypropanoic acid
CID 107835745
3-[(2-aminocyclopentanecarbonyl)amino]butanoic acid
CID 64824606
2-[(2-aminocyclohexanecarbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82786153

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminocyclohexanecarbonyl)amino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[(2-aminocyclohexanecarbonyl)amino]-2-cyclopropylacetic acid (CID 64824819) is 2-[(2-aminocyclohexanecarbonyl)amino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[(2-aminocyclohexanecarbonyl)amino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[(2-aminocyclohexanecarbonyl)amino]-2-cyclopropylacetic acid is NC1CCCCC1C(=O)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-[(2-aminocyclohexanecarbonyl)amino]-2-cyclopropylacetic acid?
The InChIKey is CHEUUHPLCYJCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c13-9-4-2-1-3-8(9)11(15)14-10(12(16)17)7-5-6-7/h7-10H,1-6,13H2,(H,14,15)(H,16,17).
What are the key properties of 2-[(2-aminocyclohexanecarbonyl)amino]-2-cyclopropylacetic acid?
2-[(2-aminocyclohexanecarbonyl)amino]-2-cyclopropylacetic acid has a molecular weight of 240.30 g/mol, XLogP of 0.48, 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-cyclopropylacetic acid is sourced from PubChem (CID 64824819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).