2-[[2-(1-aminocyclohexyl)acetyl]amino]-3,3-dimethylbutanoic acid

C14H26N2O3 — CID 64679805

IUPAC2-[[2-(1-aminocyclohexyl)acetyl]amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(NC(=O)CC1(N)CCCCC1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-13(2,3)11(12(18)19)16-10(17)9-14(15)7-5-4-6-8-14/h11H,4-9,15H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyFMRJXGZNIPYABZ-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.65
Rot. Bonds4

About 2-[[2-(1-aminocyclohexyl)acetyl]amino]-3,3-dimethylbutanoic acid

2-[[2-(1-aminocyclohexyl)acetyl]amino]-3,3-dimethylbutanoic acid (PubChem CID 64679805) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[[2-(1-aminocyclohexyl)acetyl]amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[[2-(1-aminocyclohexyl)acetyl]amino]-3,3-dimethylbutanoic acid
PubChem CID64679805
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[[2-(1-aminocyclohexyl)acetyl]amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(NC(=O)CC1(N)CCCCC1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-13(2,3)11(12(18)19)16-10(17)9-14(15)7-5-4-6-8-14/h11H,4-9,15H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyFMRJXGZNIPYABZ-UHFFFAOYSA-N
XLogP1.65
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-aminocyclohexyl)acetyl]amino]-3,3-dimethylbutanoic acid?
The IUPAC name of 2-[[2-(1-aminocyclohexyl)acetyl]amino]-3,3-dimethylbutanoic acid (CID 64679805) is 2-[[2-(1-aminocyclohexyl)acetyl]amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[[2-(1-aminocyclohexyl)acetyl]amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-[[2-(1-aminocyclohexyl)acetyl]amino]-3,3-dimethylbutanoic acid is CC(C)(C)C(NC(=O)CC1(N)CCCCC1)C(=O)O.
What is the InChIKey of 2-[[2-(1-aminocyclohexyl)acetyl]amino]-3,3-dimethylbutanoic acid?
The InChIKey is FMRJXGZNIPYABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-13(2,3)11(12(18)19)16-10(17)9-14(15)7-5-4-6-8-14/h11H,4-9,15H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[2-(1-aminocyclohexyl)acetyl]amino]-3,3-dimethylbutanoic acid?
2-[[2-(1-aminocyclohexyl)acetyl]amino]-3,3-dimethylbutanoic acid has a molecular weight of 270.37 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-(1-aminocyclohexyl)acetyl]amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 64679805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).