2-[[ethyl(propyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid

C11H22N2O4 — CID 79272261

IUPAC2-[[ethyl(propyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
SMILESCCCN(CC)C(=O)N(CCOC)CC(=O)O
InChIInChI=1S/C11H22N2O4/c1-4-6-12(5-2)11(16)13(7-8-17-3)9-10(14)15/h4-9H2,1-3H3,(H,14,15)
InChIKeyKPVRZJPHFBUSBC-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.87
Rot. Bonds8

About 2-[[ethyl(propyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid

2-[[ethyl(propyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid (PubChem CID 79272261) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[[ethyl(propyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[ethyl(propyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
PubChem CID79272261
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name2-[[ethyl(propyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
SMILESCCCN(CC)C(=O)N(CCOC)CC(=O)O
InChIInChI=1S/C11H22N2O4/c1-4-6-12(5-2)11(16)13(7-8-17-3)9-10(14)15/h4-9H2,1-3H3,(H,14,15)
InChIKeyKPVRZJPHFBUSBC-UHFFFAOYSA-N
XLogP0.87
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[bis(2-methoxyethyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272631
2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79386395
2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79269680
2-[bis(2-ethoxyethyl)carbamoyl-propylamino]acetic acid
CID 82937387
2-[butan-2-yl-[ethyl(2-methoxyethyl)carbamoyl]amino]acetic acid
CID 54948701
2-[[ethyl(2-methylprop-2-enyl)carbamoyl]-propylamino]acetic acid
CID 61186126
2-[bis(2-methoxy-2-oxoethyl)carbamoyl-propylamino]acetic acid
CID 62956267
2-[[2-ethoxyethyl(ethyl)carbamoyl]-ethylamino]acetic acid
CID 63692727
1-ethyl-1-(2-methoxyethyl)-3,3-dimethylurea
CID 115590966
2-[[2-hydroxyethyl(propyl)carbamoyl]-propylamino]acetic acid
CID 55134962
2-[[butyl(ethyl)carbamoyl]-(carboxymethyl)amino]acetic acid
CID 55247073
2-[[4-(dipropylamino)-4-oxobutanoyl]-ethylamino]acetic acid
CID 119206224

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(propyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[[ethyl(propyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid (CID 79272261) is 2-[[ethyl(propyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[[ethyl(propyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[[ethyl(propyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid is CCCN(CC)C(=O)N(CCOC)CC(=O)O.
What is the InChIKey of 2-[[ethyl(propyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid?
The InChIKey is KPVRZJPHFBUSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-4-6-12(5-2)11(16)13(7-8-17-3)9-10(14)15/h4-9H2,1-3H3,(H,14,15).
What are the key properties of 2-[[ethyl(propyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid?
2-[[ethyl(propyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid has a molecular weight of 246.31 g/mol, XLogP of 0.87, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(propyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 79272261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).