2-[1-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]ethylcarbamoylamino]-3-hydroxybutanoic acid

C11H19N5O5 — CID 123653105

IUPAC2-[1-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]ethylcarbamoylamino]-3-hydroxybutanoic acid
SMILESCC(N)c1nnc(C(C)NC(=O)NC(C(=O)O)C(C)O)o1
InChIInChI=1S/C11H19N5O5/c1-4(12)8-15-16-9(21-8)5(2)13-11(20)14-7(6(3)17)10(18)19/h4-7,17H,12H2,1-3H3,(H,18,19)(H2,13,14,20)
InChIKeyZZHKWKQMWPFVIR-UHFFFAOYSA-N
MW301.30 g/mol
LogP-0.72
Rot. Bonds6

About 2-[1-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]ethylcarbamoylamino]-3-hydroxybutanoic acid

2-[1-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]ethylcarbamoylamino]-3-hydroxybutanoic acid (PubChem CID 123653105) has the molecular formula C11H19N5O5 and a molecular weight of 301.30 g/mol. Its IUPAC name is 2-[1-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]ethylcarbamoylamino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[1-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]ethylcarbamoylamino]-3-hydroxybutanoic acid
PubChem CID123653105
Molecular FormulaC11H19N5O5
Molecular Weight301.30 g/mol
Exact Mass301.14
IUPAC Name2-[1-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]ethylcarbamoylamino]-3-hydroxybutanoic acid
SMILESCC(N)c1nnc(C(C)NC(=O)NC(C(=O)O)C(C)O)o1
InChIInChI=1S/C11H19N5O5/c1-4(12)8-15-16-9(21-8)5(2)13-11(20)14-7(6(3)17)10(18)19/h4-7,17H,12H2,1-3H3,(H,18,19)(H2,13,14,20)
InChIKeyZZHKWKQMWPFVIR-UHFFFAOYSA-N
XLogP-0.72
TPSA163.60 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 5-0.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

CID 91663287
CID 91663287
CID 117947858
CID 117947858
CID 131998882
CID 131998882
CID 117947861
CID 117947861
CID 68205387
CID 68205387
CID 117864634
CID 117864634
CID 117947846
CID 117947846
CID 117947854
CID 117947854
CID 117947856
CID 117947856
CID 117947857
CID 117947857
CID 117947863
CID 117947863
CID 117947864
CID 117947864

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]ethylcarbamoylamino]-3-hydroxybutanoic acid?
The IUPAC name of 2-[1-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]ethylcarbamoylamino]-3-hydroxybutanoic acid (CID 123653105) is 2-[1-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]ethylcarbamoylamino]-3-hydroxybutanoic acid.
What is the SMILES notation for 2-[1-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]ethylcarbamoylamino]-3-hydroxybutanoic acid?
The canonical SMILES for 2-[1-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]ethylcarbamoylamino]-3-hydroxybutanoic acid is CC(N)c1nnc(C(C)NC(=O)NC(C(=O)O)C(C)O)o1.
What is the InChIKey of 2-[1-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]ethylcarbamoylamino]-3-hydroxybutanoic acid?
The InChIKey is ZZHKWKQMWPFVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O5/c1-4(12)8-15-16-9(21-8)5(2)13-11(20)14-7(6(3)17)10(18)19/h4-7,17H,12H2,1-3H3,(H,18,19)(H2,13,14,20).
What are the key properties of 2-[1-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]ethylcarbamoylamino]-3-hydroxybutanoic acid?
2-[1-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]ethylcarbamoylamino]-3-hydroxybutanoic acid has a molecular weight of 301.30 g/mol, XLogP of -0.72, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]ethylcarbamoylamino]-3-hydroxybutanoic acid is sourced from PubChem (CID 123653105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).