(2R)-2-[(2-aminocyclohexanecarbonyl)amino]-3,3-dimethylbutanoic acid

C13H24N2O3 — CID 103927341

IUPAC(2R)-2-[(2-aminocyclohexanecarbonyl)amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](NC(=O)C1CCCCC1N)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-13(2,3)10(12(17)18)15-11(16)8-6-4-5-7-9(8)14/h8-10H,4-7,14H2,1-3H3,(H,15,16)(H,17,18)/t8?,9?,10-/m0/s1
InChIKeyKREJDCZJSVSWSC-RTBKNWGFSA-N
MW256.35 g/mol
LogP1.12
Rot. Bonds3

About (2R)-2-[(2-aminocyclohexanecarbonyl)amino]-3,3-dimethylbutanoic acid

(2R)-2-[(2-aminocyclohexanecarbonyl)amino]-3,3-dimethylbutanoic acid (PubChem CID 103927341) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is (2R)-2-[(2-aminocyclohexanecarbonyl)amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-aminocyclohexanecarbonyl)amino]-3,3-dimethylbutanoic acid
PubChem CID103927341
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name(2R)-2-[(2-aminocyclohexanecarbonyl)amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](NC(=O)C1CCCCC1N)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-13(2,3)10(12(17)18)15-11(16)8-6-4-5-7-9(8)14/h8-10H,4-7,14H2,1-3H3,(H,15,16)(H,17,18)/t8?,9?,10-/m0/s1
InChIKeyKREJDCZJSVSWSC-RTBKNWGFSA-N
XLogP1.12
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-aminocyclohexanecarbonyl)amino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2R)-2-[(2-aminocyclohexanecarbonyl)amino]-3,3-dimethylbutanoic acid (CID 103927341) is (2R)-2-[(2-aminocyclohexanecarbonyl)amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2R)-2-[(2-aminocyclohexanecarbonyl)amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2R)-2-[(2-aminocyclohexanecarbonyl)amino]-3,3-dimethylbutanoic acid is CC(C)(C)[C@@H](NC(=O)C1CCCCC1N)C(=O)O.
What is the InChIKey of (2R)-2-[(2-aminocyclohexanecarbonyl)amino]-3,3-dimethylbutanoic acid?
The InChIKey is KREJDCZJSVSWSC-RTBKNWGFSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-13(2,3)10(12(17)18)15-11(16)8-6-4-5-7-9(8)14/h8-10H,4-7,14H2,1-3H3,(H,15,16)(H,17,18)/t8?,9?,10-/m0/s1.
What are the key properties of (2R)-2-[(2-aminocyclohexanecarbonyl)amino]-3,3-dimethylbutanoic acid?
(2R)-2-[(2-aminocyclohexanecarbonyl)amino]-3,3-dimethylbutanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.12, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-aminocyclohexanecarbonyl)amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 103927341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).