2-[(4-amino-3,5-dihydroxyoxane-2-carbonyl)amino]acetic acid

C8H14N2O6 — CID 91341241

IUPAC2-[(4-amino-3,5-dihydroxyoxane-2-carbonyl)amino]acetic acid
SMILESNC1C(O)COC(C(=O)NCC(=O)O)C1O
InChIInChI=1S/C8H14N2O6/c9-5-3(11)2-16-7(6(5)14)8(15)10-1-4(12)13/h3,5-7,11,14H,1-2,9H2,(H,10,15)(H,12,13)
InChIKeyQBLHGMSGJMQCGU-UHFFFAOYSA-N
MW234.21 g/mol
LogP-3.36
Rot. Bonds3

About 2-[(4-amino-3,5-dihydroxyoxane-2-carbonyl)amino]acetic acid

2-[(4-amino-3,5-dihydroxyoxane-2-carbonyl)amino]acetic acid (PubChem CID 91341241) has the molecular formula C8H14N2O6 and a molecular weight of 234.21 g/mol. Its IUPAC name is 2-[(4-amino-3,5-dihydroxyoxane-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-amino-3,5-dihydroxyoxane-2-carbonyl)amino]acetic acid
PubChem CID91341241
Molecular FormulaC8H14N2O6
Molecular Weight234.21 g/mol
Exact Mass234.09
IUPAC Name2-[(4-amino-3,5-dihydroxyoxane-2-carbonyl)amino]acetic acid
SMILESNC1C(O)COC(C(=O)NCC(=O)O)C1O
InChIInChI=1S/C8H14N2O6/c9-5-3(11)2-16-7(6(5)14)8(15)10-1-4(12)13/h3,5-7,11,14H,1-2,9H2,(H,10,15)(H,12,13)
InChIKeyQBLHGMSGJMQCGU-UHFFFAOYSA-N
XLogP-3.36
TPSA142.11 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 5-3.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3,5-dihydroxyoxane-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(4-amino-3,5-dihydroxyoxane-2-carbonyl)amino]acetic acid (CID 91341241) is 2-[(4-amino-3,5-dihydroxyoxane-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-amino-3,5-dihydroxyoxane-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(4-amino-3,5-dihydroxyoxane-2-carbonyl)amino]acetic acid is NC1C(O)COC(C(=O)NCC(=O)O)C1O.
What is the InChIKey of 2-[(4-amino-3,5-dihydroxyoxane-2-carbonyl)amino]acetic acid?
The InChIKey is QBLHGMSGJMQCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O6/c9-5-3(11)2-16-7(6(5)14)8(15)10-1-4(12)13/h3,5-7,11,14H,1-2,9H2,(H,10,15)(H,12,13).
What are the key properties of 2-[(4-amino-3,5-dihydroxyoxane-2-carbonyl)amino]acetic acid?
2-[(4-amino-3,5-dihydroxyoxane-2-carbonyl)amino]acetic acid has a molecular weight of 234.21 g/mol, XLogP of -3.36, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3,5-dihydroxyoxane-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 91341241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).