2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-4-methoxybutanoic acid

C13H24N2O6 — CID 62475240

IUPAC2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-4-methoxybutanoic acid
SMILESCCOC(=O)CN(C(=O)NC(CCOC)C(=O)O)C(C)C
InChIInChI=1S/C13H24N2O6/c1-5-21-11(16)8-15(9(2)3)13(19)14-10(12(17)18)6-7-20-4/h9-10H,5-8H2,1-4H3,(H,14,19)(H,17,18)
InChIKeyCSAFKVUYRJWPBV-UHFFFAOYSA-N
MW304.34 g/mol
LogP0.46
Rot. Bonds9

About 2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-4-methoxybutanoic acid

2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-4-methoxybutanoic acid (PubChem CID 62475240) has the molecular formula C13H24N2O6 and a molecular weight of 304.34 g/mol. Its IUPAC name is 2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-4-methoxybutanoic acid
PubChem CID62475240
Molecular FormulaC13H24N2O6
Molecular Weight304.34 g/mol
Exact Mass304.16
IUPAC Name2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-4-methoxybutanoic acid
SMILESCCOC(=O)CN(C(=O)NC(CCOC)C(=O)O)C(C)C
InChIInChI=1S/C13H24N2O6/c1-5-21-11(16)8-15(9(2)3)13(19)14-10(12(17)18)6-7-20-4/h9-10H,5-8H2,1-4H3,(H,14,19)(H,17,18)
InChIKeyCSAFKVUYRJWPBV-UHFFFAOYSA-N
XLogP0.46
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]pentanoic acid
CID 107566625
(2S)-2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]hexanoic acid
CID 107145838
2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-4-methoxybutanoic acid
CID 62472882
2-[[butan-2-yl(butyl)carbamoyl]amino]-4-methoxybutanoic acid
CID 62474515
3-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]butanoic acid
CID 55005606
(2R)-3-hydroxy-2-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]propanoic acid
CID 80757791
4-methoxy-2-[[methyl(pentan-2-yl)carbamoyl]amino]butanoic acid
CID 62480432
2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-5-methoxypentanoic acid
CID 81084788
3-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]propanoic acid
CID 82951243
2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-4-methoxybutanoic acid
CID 62475235
(2S)-4-amino-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-4-oxobutanoic acid
CID 82951704
2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]-3-methoxypropanoic acid
CID 81084635

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-4-methoxybutanoic acid?
The IUPAC name of 2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-4-methoxybutanoic acid (CID 62475240) is 2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-4-methoxybutanoic acid is CCOC(=O)CN(C(=O)NC(CCOC)C(=O)O)C(C)C.
What is the InChIKey of 2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-4-methoxybutanoic acid?
The InChIKey is CSAFKVUYRJWPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O6/c1-5-21-11(16)8-15(9(2)3)13(19)14-10(12(17)18)6-7-20-4/h9-10H,5-8H2,1-4H3,(H,14,19)(H,17,18).
What are the key properties of 2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-4-methoxybutanoic acid?
2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-4-methoxybutanoic acid has a molecular weight of 304.34 g/mol, XLogP of 0.46, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-4-methoxybutanoic acid is sourced from PubChem (CID 62475240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).