2-[[2-(3,4-dihydroxyoxan-2-yl)-2-hydroxyacetyl]amino]-3-hydroxypropanamide

C10H18N2O7 — CID 142342518

IUPAC2-[[2-(3,4-dihydroxyoxan-2-yl)-2-hydroxyacetyl]amino]-3-hydroxypropanamide
SMILESNC(=O)C(CO)NC(=O)C(O)C1OCCC(O)C1O
InChIInChI=1S/C10H18N2O7/c11-9(17)4(3-13)12-10(18)7(16)8-6(15)5(14)1-2-19-8/h4-8,13-16H,1-3H2,(H2,11,17)(H,12,18)
InChIKeyXJXNPNXBTKQQIP-UHFFFAOYSA-N
MW278.26 g/mol
LogP-4.18
Rot. Bonds5

About 2-[[2-(3,4-dihydroxyoxan-2-yl)-2-hydroxyacetyl]amino]-3-hydroxypropanamide

2-[[2-(3,4-dihydroxyoxan-2-yl)-2-hydroxyacetyl]amino]-3-hydroxypropanamide (PubChem CID 142342518) has the molecular formula C10H18N2O7 and a molecular weight of 278.26 g/mol. Its IUPAC name is 2-[[2-(3,4-dihydroxyoxan-2-yl)-2-hydroxyacetyl]amino]-3-hydroxypropanamide.

Molecular Properties

Compound Name2-[[2-(3,4-dihydroxyoxan-2-yl)-2-hydroxyacetyl]amino]-3-hydroxypropanamide
PubChem CID142342518
Molecular FormulaC10H18N2O7
Molecular Weight278.26 g/mol
Exact Mass278.11
IUPAC Name2-[[2-(3,4-dihydroxyoxan-2-yl)-2-hydroxyacetyl]amino]-3-hydroxypropanamide
SMILESNC(=O)C(CO)NC(=O)C(O)C1OCCC(O)C1O
InChIInChI=1S/C10H18N2O7/c11-9(17)4(3-13)12-10(18)7(16)8-6(15)5(14)1-2-19-8/h4-8,13-16H,1-3H2,(H2,11,17)(H,12,18)
InChIKeyXJXNPNXBTKQQIP-UHFFFAOYSA-N
XLogP-4.18
TPSA162.34 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.26
LogP ≤ 5-4.18
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dihydroxyoxan-2-yl)-2-hydroxyacetyl]amino]-3-hydroxypropanamide?
The IUPAC name of 2-[[2-(3,4-dihydroxyoxan-2-yl)-2-hydroxyacetyl]amino]-3-hydroxypropanamide (CID 142342518) is 2-[[2-(3,4-dihydroxyoxan-2-yl)-2-hydroxyacetyl]amino]-3-hydroxypropanamide.
What is the SMILES notation for 2-[[2-(3,4-dihydroxyoxan-2-yl)-2-hydroxyacetyl]amino]-3-hydroxypropanamide?
The canonical SMILES for 2-[[2-(3,4-dihydroxyoxan-2-yl)-2-hydroxyacetyl]amino]-3-hydroxypropanamide is NC(=O)C(CO)NC(=O)C(O)C1OCCC(O)C1O.
What is the InChIKey of 2-[[2-(3,4-dihydroxyoxan-2-yl)-2-hydroxyacetyl]amino]-3-hydroxypropanamide?
The InChIKey is XJXNPNXBTKQQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O7/c11-9(17)4(3-13)12-10(18)7(16)8-6(15)5(14)1-2-19-8/h4-8,13-16H,1-3H2,(H2,11,17)(H,12,18).
What are the key properties of 2-[[2-(3,4-dihydroxyoxan-2-yl)-2-hydroxyacetyl]amino]-3-hydroxypropanamide?
2-[[2-(3,4-dihydroxyoxan-2-yl)-2-hydroxyacetyl]amino]-3-hydroxypropanamide has a molecular weight of 278.26 g/mol, XLogP of -4.18, 5 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dihydroxyoxan-2-yl)-2-hydroxyacetyl]amino]-3-hydroxypropanamide is sourced from PubChem (CID 142342518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).