2-[ethyl-[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]acetic acid

C10H20N2O5 — CID 54998594

IUPAC2-[ethyl-[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)N(C)CC(O)COC
InChIInChI=1S/C10H20N2O5/c1-4-12(6-9(14)15)10(16)11(2)5-8(13)7-17-3/h8,13H,4-7H2,1-3H3,(H,14,15)
InChIKeyYXUDIYNQEQWOBF-UHFFFAOYSA-N
MW248.28 g/mol
LogP-0.55
Rot. Bonds7

About 2-[ethyl-[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]acetic acid

2-[ethyl-[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]acetic acid (PubChem CID 54998594) has the molecular formula C10H20N2O5 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[ethyl-[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]acetic acid
PubChem CID54998594
Molecular FormulaC10H20N2O5
Molecular Weight248.28 g/mol
Exact Mass248.14
IUPAC Name2-[ethyl-[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)N(C)CC(O)COC
InChIInChI=1S/C10H20N2O5/c1-4-12(6-9(14)15)10(16)11(2)5-8(13)7-17-3/h8,13H,4-7H2,1-3H3,(H,14,15)
InChIKeyYXUDIYNQEQWOBF-UHFFFAOYSA-N
XLogP-0.55
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]acetic acid (CID 54998594) is 2-[ethyl-[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]acetic acid is CCN(CC(=O)O)C(=O)N(C)CC(O)COC.
What is the InChIKey of 2-[ethyl-[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]acetic acid?
The InChIKey is YXUDIYNQEQWOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5/c1-4-12(6-9(14)15)10(16)11(2)5-8(13)7-17-3/h8,13H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 2-[ethyl-[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]acetic acid?
2-[ethyl-[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]acetic acid has a molecular weight of 248.28 g/mol, XLogP of -0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 54998594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).