[(2R)-2-amino-3-hydroxypropanoyl]-(oxan-4-yl)azanium

C8H17N2O3+ — CID 143644854

IUPAC[(2R)-2-amino-3-hydroxypropanoyl]-(oxan-4-yl)azanium
SMILESN[C@H](CO)C(=O)[NH2+]C1CCOCC1
InChIInChI=1S/C8H16N2O3/c9-7(5-11)8(12)10-6-1-3-13-4-2-6/h6-7,11H,1-5,9H2,(H,10,12)/p+1/t7-/m1/s1
InChIKeyRFANAUCXUGTSKH-SSDOTTSWSA-O
MW189.23 g/mol
LogP-2.42
Rot. Bonds3

About [(2R)-2-amino-3-hydroxypropanoyl]-(oxan-4-yl)azanium

[(2R)-2-amino-3-hydroxypropanoyl]-(oxan-4-yl)azanium (PubChem CID 143644854) has the molecular formula C8H17N2O3+ and a molecular weight of 189.23 g/mol. Its IUPAC name is [(2R)-2-amino-3-hydroxypropanoyl]-(oxan-4-yl)azanium.

Molecular Properties

Compound Name[(2R)-2-amino-3-hydroxypropanoyl]-(oxan-4-yl)azanium
PubChem CID143644854
Molecular FormulaC8H17N2O3+
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name[(2R)-2-amino-3-hydroxypropanoyl]-(oxan-4-yl)azanium
SMILESN[C@H](CO)C(=O)[NH2+]C1CCOCC1
InChIInChI=1S/C8H16N2O3/c9-7(5-11)8(12)10-6-1-3-13-4-2-6/h6-7,11H,1-5,9H2,(H,10,12)/p+1/t7-/m1/s1
InChIKeyRFANAUCXUGTSKH-SSDOTTSWSA-O
XLogP-2.42
TPSA89.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 5-2.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-amino-3-hydroxypropanoyl]-(oxan-4-yl)azanium?
The IUPAC name of [(2R)-2-amino-3-hydroxypropanoyl]-(oxan-4-yl)azanium (CID 143644854) is [(2R)-2-amino-3-hydroxypropanoyl]-(oxan-4-yl)azanium.
What is the SMILES notation for [(2R)-2-amino-3-hydroxypropanoyl]-(oxan-4-yl)azanium?
The canonical SMILES for [(2R)-2-amino-3-hydroxypropanoyl]-(oxan-4-yl)azanium is N[C@H](CO)C(=O)[NH2+]C1CCOCC1.
What is the InChIKey of [(2R)-2-amino-3-hydroxypropanoyl]-(oxan-4-yl)azanium?
The InChIKey is RFANAUCXUGTSKH-SSDOTTSWSA-O. The full InChI is InChI=1S/C8H16N2O3/c9-7(5-11)8(12)10-6-1-3-13-4-2-6/h6-7,11H,1-5,9H2,(H,10,12)/p+1/t7-/m1/s1.
What are the key properties of [(2R)-2-amino-3-hydroxypropanoyl]-(oxan-4-yl)azanium?
[(2R)-2-amino-3-hydroxypropanoyl]-(oxan-4-yl)azanium has a molecular weight of 189.23 g/mol, XLogP of -2.42, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-amino-3-hydroxypropanoyl]-(oxan-4-yl)azanium is sourced from PubChem (CID 143644854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).