(3S)-3-amino-5-(2-aminoethyl)oxolan-2-one

C6H12N2O2 — CID 91695432

IUPAC(3S)-3-amino-5-(2-aminoethyl)oxolan-2-one
SMILESNCCC1C[C@H](N)C(=O)O1
InChIInChI=1S/C6H12N2O2/c7-2-1-4-3-5(8)6(9)10-4/h4-5H,1-3,7-8H2/t4?,5-/m0/s1
InChIKeySVPWQNGFXCWVKG-AKGZTFGVSA-N
MW144.17 g/mol
LogP-1.02
Rot. Bonds2

About (3S)-3-amino-5-(2-aminoethyl)oxolan-2-one

(3S)-3-amino-5-(2-aminoethyl)oxolan-2-one (PubChem CID 91695432) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is (3S)-3-amino-5-(2-aminoethyl)oxolan-2-one.

Molecular Properties

Compound Name(3S)-3-amino-5-(2-aminoethyl)oxolan-2-one
PubChem CID91695432
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name(3S)-3-amino-5-(2-aminoethyl)oxolan-2-one
SMILESNCCC1C[C@H](N)C(=O)O1
InChIInChI=1S/C6H12N2O2/c7-2-1-4-3-5(8)6(9)10-4/h4-5H,1-3,7-8H2/t4?,5-/m0/s1
InChIKeySVPWQNGFXCWVKG-AKGZTFGVSA-N
XLogP-1.02
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-5-(2-aminoethyl)oxolan-2-one?
The IUPAC name of (3S)-3-amino-5-(2-aminoethyl)oxolan-2-one (CID 91695432) is (3S)-3-amino-5-(2-aminoethyl)oxolan-2-one.
What is the SMILES notation for (3S)-3-amino-5-(2-aminoethyl)oxolan-2-one?
The canonical SMILES for (3S)-3-amino-5-(2-aminoethyl)oxolan-2-one is NCCC1C[C@H](N)C(=O)O1.
What is the InChIKey of (3S)-3-amino-5-(2-aminoethyl)oxolan-2-one?
The InChIKey is SVPWQNGFXCWVKG-AKGZTFGVSA-N. The full InChI is InChI=1S/C6H12N2O2/c7-2-1-4-3-5(8)6(9)10-4/h4-5H,1-3,7-8H2/t4?,5-/m0/s1.
What are the key properties of (3S)-3-amino-5-(2-aminoethyl)oxolan-2-one?
(3S)-3-amino-5-(2-aminoethyl)oxolan-2-one has a molecular weight of 144.17 g/mol, XLogP of -1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-5-(2-aminoethyl)oxolan-2-one is sourced from PubChem (CID 91695432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).