(4-acetyloxy-7-amino-2-oxoheptan-3-yl)azanium

C9H19N2O3+ — CID 123286969

IUPAC(4-acetyloxy-7-amino-2-oxoheptan-3-yl)azanium
SMILESCC(=O)OC(CCCN)C([NH3+])C(C)=O
InChIInChI=1S/C9H18N2O3/c1-6(12)9(11)8(4-3-5-10)14-7(2)13/h8-9H,3-5,10-11H2,1-2H3/p+1
InChIKeyYDUUAZNRLXMKTA-UHFFFAOYSA-O
MW203.26 g/mol
LogP-1.14
Rot. Bonds6

About (4-acetyloxy-7-amino-2-oxoheptan-3-yl)azanium

(4-acetyloxy-7-amino-2-oxoheptan-3-yl)azanium (PubChem CID 123286969) has the molecular formula C9H19N2O3+ and a molecular weight of 203.26 g/mol. Its IUPAC name is (4-acetyloxy-7-amino-2-oxoheptan-3-yl)azanium.

Molecular Properties

Compound Name(4-acetyloxy-7-amino-2-oxoheptan-3-yl)azanium
PubChem CID123286969
Molecular FormulaC9H19N2O3+
Molecular Weight203.26 g/mol
Exact Mass203.14
IUPAC Name(4-acetyloxy-7-amino-2-oxoheptan-3-yl)azanium
SMILESCC(=O)OC(CCCN)C([NH3+])C(C)=O
InChIInChI=1S/C9H18N2O3/c1-6(12)9(11)8(4-3-5-10)14-7(2)13/h8-9H,3-5,10-11H2,1-2H3/p+1
InChIKeyYDUUAZNRLXMKTA-UHFFFAOYSA-O
XLogP-1.14
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-acetyloxy-7-amino-2-oxoheptan-3-yl)azanium?
The IUPAC name of (4-acetyloxy-7-amino-2-oxoheptan-3-yl)azanium (CID 123286969) is (4-acetyloxy-7-amino-2-oxoheptan-3-yl)azanium.
What is the SMILES notation for (4-acetyloxy-7-amino-2-oxoheptan-3-yl)azanium?
The canonical SMILES for (4-acetyloxy-7-amino-2-oxoheptan-3-yl)azanium is CC(=O)OC(CCCN)C([NH3+])C(C)=O.
What is the InChIKey of (4-acetyloxy-7-amino-2-oxoheptan-3-yl)azanium?
The InChIKey is YDUUAZNRLXMKTA-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H18N2O3/c1-6(12)9(11)8(4-3-5-10)14-7(2)13/h8-9H,3-5,10-11H2,1-2H3/p+1.
What are the key properties of (4-acetyloxy-7-amino-2-oxoheptan-3-yl)azanium?
(4-acetyloxy-7-amino-2-oxoheptan-3-yl)azanium has a molecular weight of 203.26 g/mol, XLogP of -1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetyloxy-7-amino-2-oxoheptan-3-yl)azanium is sourced from PubChem (CID 123286969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).