2-[(4-ethylcyclohexyl)methylcarbamoyl-(2-methoxyethyl)amino]acetic acid

C15H28N2O4 — CID 79271258

IUPAC2-[(4-ethylcyclohexyl)methylcarbamoyl-(2-methoxyethyl)amino]acetic acid
SMILESCCC1CCC(CNC(=O)N(CCOC)CC(=O)O)CC1
InChIInChI=1S/C15H28N2O4/c1-3-12-4-6-13(7-5-12)10-16-15(20)17(8-9-21-2)11-14(18)19/h12-13H,3-11H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyMVTTUBHXUJPTRJ-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.95
Rot. Bonds8

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

2-[(4-ethylcyclohexyl)methylcarbamoyl-(2-methoxyethyl)amino]acetic acid (PubChem CID 79271258) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-[(4-ethylcyclohexyl)methylcarbamoyl-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-ethylcyclohexyl)methylcarbamoyl-(2-methoxyethyl)amino]acetic acid
PubChem CID79271258
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name2-[(4-ethylcyclohexyl)methylcarbamoyl-(2-methoxyethyl)amino]acetic acid
SMILESCCC1CCC(CNC(=O)N(CCOC)CC(=O)O)CC1
InChIInChI=1S/C15H28N2O4/c1-3-12-4-6-13(7-5-12)10-16-15(20)17(8-9-21-2)11-14(18)19/h12-13H,3-11H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyMVTTUBHXUJPTRJ-UHFFFAOYSA-N
XLogP1.95
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropylmethylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79269872
3-[(4-ethylcyclohexyl)methyl]-1,1-dimethylurea
CID 115590479
2-[(3-methylcyclopentyl)methylcarbamoyl-propylamino]acetic acid
CID 107414624
2-[2-(dimethylcarbamoylamino)ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 83113976
2-[cyclobutylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79269687
2-[2-[cyclopentyl(methyl)amino]ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79271649
2-[carboxymethyl(cyclopentylmethylcarbamoyl)amino]acetic acid
CID 55246133
2-[2-acetamidoethylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79269666
2-[cycloheptylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79271342
2-[(4-ethylcycloheptyl)-(2-methoxyethyl)amino]acetic acid
CID 65087606
2-[cyclopropylmethylcarbamoyl(methyl)amino]acetic acid
CID 43135716
2-[cyclopropylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258875

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylcyclohexyl)methylcarbamoyl-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[(4-ethylcyclohexyl)methylcarbamoyl-(2-methoxyethyl)amino]acetic acid (CID 79271258) is 2-[(4-ethylcyclohexyl)methylcarbamoyl-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-ethylcyclohexyl)methylcarbamoyl-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[(4-ethylcyclohexyl)methylcarbamoyl-(2-methoxyethyl)amino]acetic acid is CCC1CCC(CNC(=O)N(CCOC)CC(=O)O)CC1.
What is the InChIKey of 2-[(4-ethylcyclohexyl)methylcarbamoyl-(2-methoxyethyl)amino]acetic acid?
The InChIKey is MVTTUBHXUJPTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-3-12-4-6-13(7-5-12)10-16-15(20)17(8-9-21-2)11-14(18)19/h12-13H,3-11H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[(4-ethylcyclohexyl)methylcarbamoyl-(2-methoxyethyl)amino]acetic acid?
2-[(4-ethylcyclohexyl)methylcarbamoyl-(2-methoxyethyl)amino]acetic acid has a molecular weight of 300.40 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylcyclohexyl)methylcarbamoyl-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 79271258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).