(3S,5S)-3-(aminomethyl)-5-[(1S)-1-amino-2-methylpropyl]oxolan-2-one

C9H18N2O2 — CID 10932161

IUPAC(3S,5S)-3-(aminomethyl)-5-[(1S)-1-amino-2-methylpropyl]oxolan-2-one
SMILESCC(C)[C@H](N)[C@@H]1C[C@@H](CN)C(=O)O1
InChIInChI=1S/C9H18N2O2/c1-5(2)8(11)7-3-6(4-10)9(12)13-7/h5-8H,3-4,10-11H2,1-2H3/t6-,7-,8-/m0/s1
InChIKeyGFKZHAPLBGXFIA-FXQIFTODSA-N
MW186.25 g/mol
LogP-0.14
Rot. Bonds3

About (3S,5S)-3-(aminomethyl)-5-[(1S)-1-amino-2-methylpropyl]oxolan-2-one

(3S,5S)-3-(aminomethyl)-5-[(1S)-1-amino-2-methylpropyl]oxolan-2-one (PubChem CID 10932161) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (3S,5S)-3-(aminomethyl)-5-[(1S)-1-amino-2-methylpropyl]oxolan-2-one.

Molecular Properties

Compound Name(3S,5S)-3-(aminomethyl)-5-[(1S)-1-amino-2-methylpropyl]oxolan-2-one
PubChem CID10932161
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(3S,5S)-3-(aminomethyl)-5-[(1S)-1-amino-2-methylpropyl]oxolan-2-one
SMILESCC(C)[C@H](N)[C@@H]1C[C@@H](CN)C(=O)O1
InChIInChI=1S/C9H18N2O2/c1-5(2)8(11)7-3-6(4-10)9(12)13-7/h5-8H,3-4,10-11H2,1-2H3/t6-,7-,8-/m0/s1
InChIKeyGFKZHAPLBGXFIA-FXQIFTODSA-N
XLogP-0.14
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3-(aminomethyl)-5-[(1S)-1-amino-2-methylpropyl]oxolan-2-one?
The IUPAC name of (3S,5S)-3-(aminomethyl)-5-[(1S)-1-amino-2-methylpropyl]oxolan-2-one (CID 10932161) is (3S,5S)-3-(aminomethyl)-5-[(1S)-1-amino-2-methylpropyl]oxolan-2-one.
What is the SMILES notation for (3S,5S)-3-(aminomethyl)-5-[(1S)-1-amino-2-methylpropyl]oxolan-2-one?
The canonical SMILES for (3S,5S)-3-(aminomethyl)-5-[(1S)-1-amino-2-methylpropyl]oxolan-2-one is CC(C)[C@H](N)[C@@H]1C[C@@H](CN)C(=O)O1.
What is the InChIKey of (3S,5S)-3-(aminomethyl)-5-[(1S)-1-amino-2-methylpropyl]oxolan-2-one?
The InChIKey is GFKZHAPLBGXFIA-FXQIFTODSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-5(2)8(11)7-3-6(4-10)9(12)13-7/h5-8H,3-4,10-11H2,1-2H3/t6-,7-,8-/m0/s1.
What are the key properties of (3S,5S)-3-(aminomethyl)-5-[(1S)-1-amino-2-methylpropyl]oxolan-2-one?
(3S,5S)-3-(aminomethyl)-5-[(1S)-1-amino-2-methylpropyl]oxolan-2-one has a molecular weight of 186.25 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3-(aminomethyl)-5-[(1S)-1-amino-2-methylpropyl]oxolan-2-one is sourced from PubChem (CID 10932161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).