2-[1-[(2,2-dimethylpropanoylamino)methyl]cyclohexyl]acetic acid

C14H25NO3 — CID 5248229

IUPAC2-[1-[(2,2-dimethylpropanoylamino)methyl]cyclohexyl]acetic acid
SMILESCC(C)(C)C(=O)NCC1(CC(=O)O)CCCCC1
InChIInChI=1S/C14H25NO3/c1-13(2,3)12(18)15-10-14(9-11(16)17)7-5-4-6-8-14/h4-10H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyGFFUVXVBBWASQE-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.57
Rot. Bonds4

About 2-[1-[(2,2-dimethylpropanoylamino)methyl]cyclohexyl]acetic acid

2-[1-[(2,2-dimethylpropanoylamino)methyl]cyclohexyl]acetic acid (PubChem CID 5248229) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[1-[(2,2-dimethylpropanoylamino)methyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2,2-dimethylpropanoylamino)methyl]cyclohexyl]acetic acid
PubChem CID5248229
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-[1-[(2,2-dimethylpropanoylamino)methyl]cyclohexyl]acetic acid
SMILESCC(C)(C)C(=O)NCC1(CC(=O)O)CCCCC1
InChIInChI=1S/C14H25NO3/c1-13(2,3)12(18)15-10-14(9-11(16)17)7-5-4-6-8-14/h4-10H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyGFFUVXVBBWASQE-UHFFFAOYSA-N
XLogP2.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,2-dimethylpropanoylamino)methyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(2,2-dimethylpropanoylamino)methyl]cyclohexyl]acetic acid (CID 5248229) is 2-[1-[(2,2-dimethylpropanoylamino)methyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(2,2-dimethylpropanoylamino)methyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(2,2-dimethylpropanoylamino)methyl]cyclohexyl]acetic acid is CC(C)(C)C(=O)NCC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[(2,2-dimethylpropanoylamino)methyl]cyclohexyl]acetic acid?
The InChIKey is GFFUVXVBBWASQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-13(2,3)12(18)15-10-14(9-11(16)17)7-5-4-6-8-14/h4-10H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 2-[1-[(2,2-dimethylpropanoylamino)methyl]cyclohexyl]acetic acid?
2-[1-[(2,2-dimethylpropanoylamino)methyl]cyclohexyl]acetic acid has a molecular weight of 255.36 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,2-dimethylpropanoylamino)methyl]cyclohexyl]acetic acid is sourced from PubChem (CID 5248229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).