2-[[(4-ethylcyclohexyl)-methylcarbamoyl]-methylamino]acetic acid

C13H24N2O3 — CID 54948121

IUPAC2-[[(4-ethylcyclohexyl)-methylcarbamoyl]-methylamino]acetic acid
SMILESCCC1CCC(N(C)C(=O)N(C)CC(=O)O)CC1
InChIInChI=1S/C13H24N2O3/c1-4-10-5-7-11(8-6-10)15(3)13(18)14(2)9-12(16)17/h10-11H,4-9H2,1-3H3,(H,16,17)
InChIKeyLHSBBGMNULGUJU-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.02
Rot. Bonds4

About 2-[[(4-ethylcyclohexyl)-methylcarbamoyl]-methylamino]acetic acid

2-[[(4-ethylcyclohexyl)-methylcarbamoyl]-methylamino]acetic acid (PubChem CID 54948121) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[[(4-ethylcyclohexyl)-methylcarbamoyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[(4-ethylcyclohexyl)-methylcarbamoyl]-methylamino]acetic acid
PubChem CID54948121
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[[(4-ethylcyclohexyl)-methylcarbamoyl]-methylamino]acetic acid
SMILESCCC1CCC(N(C)C(=O)N(C)CC(=O)O)CC1
InChIInChI=1S/C13H24N2O3/c1-4-10-5-7-11(8-6-10)15(3)13(18)14(2)9-12(16)17/h10-11H,4-9H2,1-3H3,(H,16,17)
InChIKeyLHSBBGMNULGUJU-UHFFFAOYSA-N
XLogP2.02
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4-ethylcyclohexyl)-methylcarbamoyl]-methylamino]acetic acid?
The IUPAC name of 2-[[(4-ethylcyclohexyl)-methylcarbamoyl]-methylamino]acetic acid (CID 54948121) is 2-[[(4-ethylcyclohexyl)-methylcarbamoyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[(4-ethylcyclohexyl)-methylcarbamoyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[(4-ethylcyclohexyl)-methylcarbamoyl]-methylamino]acetic acid is CCC1CCC(N(C)C(=O)N(C)CC(=O)O)CC1.
What is the InChIKey of 2-[[(4-ethylcyclohexyl)-methylcarbamoyl]-methylamino]acetic acid?
The InChIKey is LHSBBGMNULGUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-10-5-7-11(8-6-10)15(3)13(18)14(2)9-12(16)17/h10-11H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 2-[[(4-ethylcyclohexyl)-methylcarbamoyl]-methylamino]acetic acid?
2-[[(4-ethylcyclohexyl)-methylcarbamoyl]-methylamino]acetic acid has a molecular weight of 256.35 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-ethylcyclohexyl)-methylcarbamoyl]-methylamino]acetic acid is sourced from PubChem (CID 54948121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).