2-[(1-methyl-4-propan-2-ylcyclohexanecarbonyl)amino]acetic acid

C13H23NO3 — CID 68999062

IUPAC2-[(1-methyl-4-propan-2-ylcyclohexanecarbonyl)amino]acetic acid
SMILESCC(C)C1CCC(C)(C(=O)NCC(=O)O)CC1
InChIInChI=1S/C13H23NO3/c1-9(2)10-4-6-13(3,7-5-10)12(17)14-8-11(15)16/h9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyQOXPSWSZFPNAJF-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.04
Rot. Bonds4

About 2-[(1-methyl-4-propan-2-ylcyclohexanecarbonyl)amino]acetic acid

2-[(1-methyl-4-propan-2-ylcyclohexanecarbonyl)amino]acetic acid (PubChem CID 68999062) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[(1-methyl-4-propan-2-ylcyclohexanecarbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-methyl-4-propan-2-ylcyclohexanecarbonyl)amino]acetic acid
PubChem CID68999062
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-[(1-methyl-4-propan-2-ylcyclohexanecarbonyl)amino]acetic acid
SMILESCC(C)C1CCC(C)(C(=O)NCC(=O)O)CC1
InChIInChI=1S/C13H23NO3/c1-9(2)10-4-6-13(3,7-5-10)12(17)14-8-11(15)16/h9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyQOXPSWSZFPNAJF-UHFFFAOYSA-N
XLogP2.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-4-propan-2-ylcyclohexanecarbonyl)amino]acetic acid?
The IUPAC name of 2-[(1-methyl-4-propan-2-ylcyclohexanecarbonyl)amino]acetic acid (CID 68999062) is 2-[(1-methyl-4-propan-2-ylcyclohexanecarbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(1-methyl-4-propan-2-ylcyclohexanecarbonyl)amino]acetic acid?
The canonical SMILES for 2-[(1-methyl-4-propan-2-ylcyclohexanecarbonyl)amino]acetic acid is CC(C)C1CCC(C)(C(=O)NCC(=O)O)CC1.
What is the InChIKey of 2-[(1-methyl-4-propan-2-ylcyclohexanecarbonyl)amino]acetic acid?
The InChIKey is QOXPSWSZFPNAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-9(2)10-4-6-13(3,7-5-10)12(17)14-8-11(15)16/h9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 2-[(1-methyl-4-propan-2-ylcyclohexanecarbonyl)amino]acetic acid?
2-[(1-methyl-4-propan-2-ylcyclohexanecarbonyl)amino]acetic acid has a molecular weight of 241.33 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-4-propan-2-ylcyclohexanecarbonyl)amino]acetic acid is sourced from PubChem (CID 68999062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).