2-(ethoxycarbonylamino)-2-hydroxyacetic acid

C5H9NO5 — CID 15130906

IUPAC2-(ethoxycarbonylamino)-2-hydroxyacetic acid
SMILESCCOC(=O)NC(O)C(=O)O
InChIInChI=1S/C5H9NO5/c1-2-11-5(10)6-3(7)4(8)9/h3,7H,2H2,1H3,(H,6,10)(H,8,9)
InChIKeyXDPACTDWGYGTCK-UHFFFAOYSA-N
MW163.13 g/mol
LogP-0.86
Rot. Bonds3

About 2-(ethoxycarbonylamino)-2-hydroxyacetic acid

2-(ethoxycarbonylamino)-2-hydroxyacetic acid (PubChem CID 15130906) has the molecular formula C5H9NO5 and a molecular weight of 163.13 g/mol. Its IUPAC name is 2-(ethoxycarbonylamino)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(ethoxycarbonylamino)-2-hydroxyacetic acid
PubChem CID15130906
Molecular FormulaC5H9NO5
Molecular Weight163.13 g/mol
Exact Mass163.05
IUPAC Name2-(ethoxycarbonylamino)-2-hydroxyacetic acid
SMILESCCOC(=O)NC(O)C(=O)O
InChIInChI=1S/C5H9NO5/c1-2-11-5(10)6-3(7)4(8)9/h3,7H,2H2,1H3,(H,6,10)(H,8,9)
InChIKeyXDPACTDWGYGTCK-UHFFFAOYSA-N
XLogP-0.86
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.13
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxycarbonylamino)-2-hydroxyacetic acid?
The IUPAC name of 2-(ethoxycarbonylamino)-2-hydroxyacetic acid (CID 15130906) is 2-(ethoxycarbonylamino)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(ethoxycarbonylamino)-2-hydroxyacetic acid?
The canonical SMILES for 2-(ethoxycarbonylamino)-2-hydroxyacetic acid is CCOC(=O)NC(O)C(=O)O.
What is the InChIKey of 2-(ethoxycarbonylamino)-2-hydroxyacetic acid?
The InChIKey is XDPACTDWGYGTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO5/c1-2-11-5(10)6-3(7)4(8)9/h3,7H,2H2,1H3,(H,6,10)(H,8,9).
What are the key properties of 2-(ethoxycarbonylamino)-2-hydroxyacetic acid?
2-(ethoxycarbonylamino)-2-hydroxyacetic acid has a molecular weight of 163.13 g/mol, XLogP of -0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxycarbonylamino)-2-hydroxyacetic acid is sourced from PubChem (CID 15130906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).