2-[3-ethylpentan-2-ylcarbamoyl(2-methoxyethyl)amino]acetic acid

C13H26N2O4 — CID 79271931

IUPAC2-[3-ethylpentan-2-ylcarbamoyl(2-methoxyethyl)amino]acetic acid
SMILESCCC(CC)C(C)NC(=O)N(CCOC)CC(=O)O
InChIInChI=1S/C13H26N2O4/c1-5-11(6-2)10(3)14-13(18)15(7-8-19-4)9-12(16)17/h10-11H,5-9H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyFVOVKWSGGOMJBL-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.55
Rot. Bonds9

About 2-[3-ethylpentan-2-ylcarbamoyl(2-methoxyethyl)amino]acetic acid

2-[3-ethylpentan-2-ylcarbamoyl(2-methoxyethyl)amino]acetic acid (PubChem CID 79271931) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[3-ethylpentan-2-ylcarbamoyl(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[3-ethylpentan-2-ylcarbamoyl(2-methoxyethyl)amino]acetic acid
PubChem CID79271931
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name2-[3-ethylpentan-2-ylcarbamoyl(2-methoxyethyl)amino]acetic acid
SMILESCCC(CC)C(C)NC(=O)N(CCOC)CC(=O)O
InChIInChI=1S/C13H26N2O4/c1-5-11(6-2)10(3)14-13(18)15(7-8-19-4)9-12(16)17/h10-11H,5-9H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyFVOVKWSGGOMJBL-UHFFFAOYSA-N
XLogP1.55
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-amino-1-oxopropan-2-yl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272265
2-[2-methoxyethyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid
CID 79271343
2-[3-ethylpentan-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266133
2-[3-ethylpentan-2-ylcarbamoyl(prop-2-ynyl)amino]acetic acid
CID 79283560
2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79271724
2-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79270901
2-[3-ethylpentan-2-ylcarbamoyl(propan-2-yl)amino]acetic acid
CID 63843747
2-[2-methoxyethyl(1-pyrazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid
CID 79272272
2-[butan-2-yl-[ethyl(2-methoxyethyl)carbamoyl]amino]acetic acid
CID 54948701
2-[2-methoxyethyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid
CID 106389409
2-[[ethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid
CID 61447549
2-[2-(dimethylcarbamoylamino)ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 83113976

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethylpentan-2-ylcarbamoyl(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[3-ethylpentan-2-ylcarbamoyl(2-methoxyethyl)amino]acetic acid (CID 79271931) is 2-[3-ethylpentan-2-ylcarbamoyl(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[3-ethylpentan-2-ylcarbamoyl(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[3-ethylpentan-2-ylcarbamoyl(2-methoxyethyl)amino]acetic acid is CCC(CC)C(C)NC(=O)N(CCOC)CC(=O)O.
What is the InChIKey of 2-[3-ethylpentan-2-ylcarbamoyl(2-methoxyethyl)amino]acetic acid?
The InChIKey is FVOVKWSGGOMJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-5-11(6-2)10(3)14-13(18)15(7-8-19-4)9-12(16)17/h10-11H,5-9H2,1-4H3,(H,14,18)(H,16,17).
What are the key properties of 2-[3-ethylpentan-2-ylcarbamoyl(2-methoxyethyl)amino]acetic acid?
2-[3-ethylpentan-2-ylcarbamoyl(2-methoxyethyl)amino]acetic acid has a molecular weight of 274.36 g/mol, XLogP of 1.55, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethylpentan-2-ylcarbamoyl(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 79271931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).