2-[[5-(1-amino-2-hydroxyethyl)-1,3,4-oxadiazolidin-2-yl]methylcarbamoylamino]-3-hydroxybutanoic acid

C10H21N5O6 — CID 134525901

IUPAC2-[[5-(1-amino-2-hydroxyethyl)-1,3,4-oxadiazolidin-2-yl]methylcarbamoylamino]-3-hydroxybutanoic acid
SMILESCC(O)C(NC(=O)NCC1NNC(C(N)CO)O1)C(=O)O
InChIInChI=1S/C10H21N5O6/c1-4(17)7(9(18)19)13-10(20)12-2-6-14-15-8(21-6)5(11)3-16/h4-8,14-17H,2-3,11H2,1H3,(H,18,19)(H2,12,13,20)
InChIKeyVMORDDUGJUKNKH-UHFFFAOYSA-N
MW307.31 g/mol
LogP-3.78
Rot. Bonds7

About 2-[[5-(1-amino-2-hydroxyethyl)-1,3,4-oxadiazolidin-2-yl]methylcarbamoylamino]-3-hydroxybutanoic acid

2-[[5-(1-amino-2-hydroxyethyl)-1,3,4-oxadiazolidin-2-yl]methylcarbamoylamino]-3-hydroxybutanoic acid (PubChem CID 134525901) has the molecular formula C10H21N5O6 and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-[[5-(1-amino-2-hydroxyethyl)-1,3,4-oxadiazolidin-2-yl]methylcarbamoylamino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[[5-(1-amino-2-hydroxyethyl)-1,3,4-oxadiazolidin-2-yl]methylcarbamoylamino]-3-hydroxybutanoic acid
PubChem CID134525901
Molecular FormulaC10H21N5O6
Molecular Weight307.31 g/mol
Exact Mass307.15
IUPAC Name2-[[5-(1-amino-2-hydroxyethyl)-1,3,4-oxadiazolidin-2-yl]methylcarbamoylamino]-3-hydroxybutanoic acid
SMILESCC(O)C(NC(=O)NCC1NNC(C(N)CO)O1)C(=O)O
InChIInChI=1S/C10H21N5O6/c1-4(17)7(9(18)19)13-10(20)12-2-6-14-15-8(21-6)5(11)3-16/h4-8,14-17H,2-3,11H2,1H3,(H,18,19)(H2,12,13,20)
InChIKeyVMORDDUGJUKNKH-UHFFFAOYSA-N
XLogP-3.78
TPSA178.20 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.31
LogP ≤ 5-3.78
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1-amino-2-hydroxyethyl)-1,3,4-oxadiazolidin-2-yl]methylcarbamoylamino]-3-hydroxybutanoic acid?
The IUPAC name of 2-[[5-(1-amino-2-hydroxyethyl)-1,3,4-oxadiazolidin-2-yl]methylcarbamoylamino]-3-hydroxybutanoic acid (CID 134525901) is 2-[[5-(1-amino-2-hydroxyethyl)-1,3,4-oxadiazolidin-2-yl]methylcarbamoylamino]-3-hydroxybutanoic acid.
What is the SMILES notation for 2-[[5-(1-amino-2-hydroxyethyl)-1,3,4-oxadiazolidin-2-yl]methylcarbamoylamino]-3-hydroxybutanoic acid?
The canonical SMILES for 2-[[5-(1-amino-2-hydroxyethyl)-1,3,4-oxadiazolidin-2-yl]methylcarbamoylamino]-3-hydroxybutanoic acid is CC(O)C(NC(=O)NCC1NNC(C(N)CO)O1)C(=O)O.
What is the InChIKey of 2-[[5-(1-amino-2-hydroxyethyl)-1,3,4-oxadiazolidin-2-yl]methylcarbamoylamino]-3-hydroxybutanoic acid?
The InChIKey is VMORDDUGJUKNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5O6/c1-4(17)7(9(18)19)13-10(20)12-2-6-14-15-8(21-6)5(11)3-16/h4-8,14-17H,2-3,11H2,1H3,(H,18,19)(H2,12,13,20).
What are the key properties of 2-[[5-(1-amino-2-hydroxyethyl)-1,3,4-oxadiazolidin-2-yl]methylcarbamoylamino]-3-hydroxybutanoic acid?
2-[[5-(1-amino-2-hydroxyethyl)-1,3,4-oxadiazolidin-2-yl]methylcarbamoylamino]-3-hydroxybutanoic acid has a molecular weight of 307.31 g/mol, XLogP of -3.78, 7 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1-amino-2-hydroxyethyl)-1,3,4-oxadiazolidin-2-yl]methylcarbamoylamino]-3-hydroxybutanoic acid is sourced from PubChem (CID 134525901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).