2-[1-[5-(1-amino-2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]ethylcarbamoylamino]-3-hydroxypropanoic acid

C10H17N5O6 — CID 123349328

IUPAC2-[1-[5-(1-amino-2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]ethylcarbamoylamino]-3-hydroxypropanoic acid
SMILESCC(NC(=O)NC(CO)C(=O)O)c1nnc(C(N)CO)o1
InChIInChI=1S/C10H17N5O6/c1-4(7-14-15-8(21-7)5(11)2-16)12-10(20)13-6(3-17)9(18)19/h4-6,16-17H,2-3,11H2,1H3,(H,18,19)(H2,12,13,20)
InChIKeyXYCKMZUMTNJHKJ-UHFFFAOYSA-N
MW303.28 g/mol
LogP-2.13
Rot. Bonds7

About 2-[1-[5-(1-amino-2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]ethylcarbamoylamino]-3-hydroxypropanoic acid

2-[1-[5-(1-amino-2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]ethylcarbamoylamino]-3-hydroxypropanoic acid (PubChem CID 123349328) has the molecular formula C10H17N5O6 and a molecular weight of 303.28 g/mol. Its IUPAC name is 2-[1-[5-(1-amino-2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]ethylcarbamoylamino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[1-[5-(1-amino-2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]ethylcarbamoylamino]-3-hydroxypropanoic acid
PubChem CID123349328
Molecular FormulaC10H17N5O6
Molecular Weight303.28 g/mol
Exact Mass303.12
IUPAC Name2-[1-[5-(1-amino-2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]ethylcarbamoylamino]-3-hydroxypropanoic acid
SMILESCC(NC(=O)NC(CO)C(=O)O)c1nnc(C(N)CO)o1
InChIInChI=1S/C10H17N5O6/c1-4(7-14-15-8(21-7)5(11)2-16)12-10(20)13-6(3-17)9(18)19/h4-6,16-17H,2-3,11H2,1H3,(H,18,19)(H2,12,13,20)
InChIKeyXYCKMZUMTNJHKJ-UHFFFAOYSA-N
XLogP-2.13
TPSA183.83 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.28
LogP ≤ 5-2.13
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-(1-amino-2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]ethylcarbamoylamino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[1-[5-(1-amino-2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]ethylcarbamoylamino]-3-hydroxypropanoic acid (CID 123349328) is 2-[1-[5-(1-amino-2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]ethylcarbamoylamino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[1-[5-(1-amino-2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]ethylcarbamoylamino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[1-[5-(1-amino-2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]ethylcarbamoylamino]-3-hydroxypropanoic acid is CC(NC(=O)NC(CO)C(=O)O)c1nnc(C(N)CO)o1.
What is the InChIKey of 2-[1-[5-(1-amino-2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]ethylcarbamoylamino]-3-hydroxypropanoic acid?
The InChIKey is XYCKMZUMTNJHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O6/c1-4(7-14-15-8(21-7)5(11)2-16)12-10(20)13-6(3-17)9(18)19/h4-6,16-17H,2-3,11H2,1H3,(H,18,19)(H2,12,13,20).
What are the key properties of 2-[1-[5-(1-amino-2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]ethylcarbamoylamino]-3-hydroxypropanoic acid?
2-[1-[5-(1-amino-2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]ethylcarbamoylamino]-3-hydroxypropanoic acid has a molecular weight of 303.28 g/mol, XLogP of -2.13, 7 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-(1-amino-2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]ethylcarbamoylamino]-3-hydroxypropanoic acid is sourced from PubChem (CID 123349328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).