2-[[cyclohexyl(ethyl)carbamoyl]-methylamino]acetic acid

C12H22N2O3 — CID 43135840

IUPAC2-[[cyclohexyl(ethyl)carbamoyl]-methylamino]acetic acid
SMILESCCN(C(=O)N(C)CC(=O)O)C1CCCCC1
InChIInChI=1S/C12H22N2O3/c1-3-14(10-7-5-4-6-8-10)12(17)13(2)9-11(15)16/h10H,3-9H2,1-2H3,(H,15,16)
InChIKeyIYKOYWFEAMIGMT-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.78
Rot. Bonds4

About 2-[[cyclohexyl(ethyl)carbamoyl]-methylamino]acetic acid

2-[[cyclohexyl(ethyl)carbamoyl]-methylamino]acetic acid (PubChem CID 43135840) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[[cyclohexyl(ethyl)carbamoyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[cyclohexyl(ethyl)carbamoyl]-methylamino]acetic acid
PubChem CID43135840
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[[cyclohexyl(ethyl)carbamoyl]-methylamino]acetic acid
SMILESCCN(C(=O)N(C)CC(=O)O)C1CCCCC1
InChIInChI=1S/C12H22N2O3/c1-3-14(10-7-5-4-6-8-10)12(17)13(2)9-11(15)16/h10H,3-9H2,1-2H3,(H,15,16)
InChIKeyIYKOYWFEAMIGMT-UHFFFAOYSA-N
XLogP1.78
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[cyclohexyl(ethyl)carbamoyl]-methylamino]acetic acid?
The IUPAC name of 2-[[cyclohexyl(ethyl)carbamoyl]-methylamino]acetic acid (CID 43135840) is 2-[[cyclohexyl(ethyl)carbamoyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[cyclohexyl(ethyl)carbamoyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[cyclohexyl(ethyl)carbamoyl]-methylamino]acetic acid is CCN(C(=O)N(C)CC(=O)O)C1CCCCC1.
What is the InChIKey of 2-[[cyclohexyl(ethyl)carbamoyl]-methylamino]acetic acid?
The InChIKey is IYKOYWFEAMIGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-14(10-7-5-4-6-8-10)12(17)13(2)9-11(15)16/h10H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 2-[[cyclohexyl(ethyl)carbamoyl]-methylamino]acetic acid?
2-[[cyclohexyl(ethyl)carbamoyl]-methylamino]acetic acid has a molecular weight of 242.32 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclohexyl(ethyl)carbamoyl]-methylamino]acetic acid is sourced from PubChem (CID 43135840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).