2-[methyl-[2-(3,3,5-trimethylcyclohexyl)acetyl]amino]acetic acid

C14H25NO3 — CID 119171819

IUPAC2-[methyl-[2-(3,3,5-trimethylcyclohexyl)acetyl]amino]acetic acid
SMILESCC1CC(CC(=O)N(C)CC(=O)O)CC(C)(C)C1
InChIInChI=1S/C14H25NO3/c1-10-5-11(8-14(2,3)7-10)6-12(16)15(4)9-13(17)18/h10-11H,5-9H2,1-4H3,(H,17,18)
InChIKeyOMCMPDKNWJFCKX-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.38
Rot. Bonds4

About 2-[methyl-[2-(3,3,5-trimethylcyclohexyl)acetyl]amino]acetic acid

2-[methyl-[2-(3,3,5-trimethylcyclohexyl)acetyl]amino]acetic acid (PubChem CID 119171819) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[methyl-[2-(3,3,5-trimethylcyclohexyl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[2-(3,3,5-trimethylcyclohexyl)acetyl]amino]acetic acid
PubChem CID119171819
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-[methyl-[2-(3,3,5-trimethylcyclohexyl)acetyl]amino]acetic acid
SMILESCC1CC(CC(=O)N(C)CC(=O)O)CC(C)(C)C1
InChIInChI=1S/C14H25NO3/c1-10-5-11(8-14(2,3)7-10)6-12(16)15(4)9-13(17)18/h10-11H,5-9H2,1-4H3,(H,17,18)
InChIKeyOMCMPDKNWJFCKX-UHFFFAOYSA-N
XLogP2.38
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(3,3,5-trimethylcyclohexyl)acetyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[2-(3,3,5-trimethylcyclohexyl)acetyl]amino]acetic acid (CID 119171819) is 2-[methyl-[2-(3,3,5-trimethylcyclohexyl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[2-(3,3,5-trimethylcyclohexyl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[2-(3,3,5-trimethylcyclohexyl)acetyl]amino]acetic acid is CC1CC(CC(=O)N(C)CC(=O)O)CC(C)(C)C1.
What is the InChIKey of 2-[methyl-[2-(3,3,5-trimethylcyclohexyl)acetyl]amino]acetic acid?
The InChIKey is OMCMPDKNWJFCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-10-5-11(8-14(2,3)7-10)6-12(16)15(4)9-13(17)18/h10-11H,5-9H2,1-4H3,(H,17,18).
What are the key properties of 2-[methyl-[2-(3,3,5-trimethylcyclohexyl)acetyl]amino]acetic acid?
2-[methyl-[2-(3,3,5-trimethylcyclohexyl)acetyl]amino]acetic acid has a molecular weight of 255.36 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(3,3,5-trimethylcyclohexyl)acetyl]amino]acetic acid is sourced from PubChem (CID 119171819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).