(3S,6S)-6-amino-3-propanoyl-2,3,6,7-tetrahydro-1H-indolizin-5-one;molecular hydrogen

C11H18N2O2 — CID 162390168

IUPAC(3S,6S)-6-amino-3-propanoyl-2,3,6,7-tetrahydro-1H-indolizin-5-one;molecular hydrogen
SMILESCCC(=O)[C@@H]1CCC2=CC[C@H](N)C(=O)N21.[H][H]
InChIInChI=1S/C11H16N2O2.H2/c1-2-10(14)9-6-4-7-3-5-8(12)11(15)13(7)9;/h3,8-9H,2,4-6,12H2,1H3;1H/t8-,9-;/m0./s1
InChIKeySHFPGUUAHVDCLI-OZZZDHQUSA-N
MW210.28 g/mol
LogP0.82
Rot. Bonds2

About (3S,6S)-6-amino-3-propanoyl-2,3,6,7-tetrahydro-1H-indolizin-5-one;molecular hydrogen

(3S,6S)-6-amino-3-propanoyl-2,3,6,7-tetrahydro-1H-indolizin-5-one;molecular hydrogen (PubChem CID 162390168) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (3S,6S)-6-amino-3-propanoyl-2,3,6,7-tetrahydro-1H-indolizin-5-one;molecular hydrogen.

Molecular Properties

Compound Name(3S,6S)-6-amino-3-propanoyl-2,3,6,7-tetrahydro-1H-indolizin-5-one;molecular hydrogen
PubChem CID162390168
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name(3S,6S)-6-amino-3-propanoyl-2,3,6,7-tetrahydro-1H-indolizin-5-one;molecular hydrogen
SMILESCCC(=O)[C@@H]1CCC2=CC[C@H](N)C(=O)N21.[H][H]
InChIInChI=1S/C11H16N2O2.H2/c1-2-10(14)9-6-4-7-3-5-8(12)11(15)13(7)9;/h3,8-9H,2,4-6,12H2,1H3;1H/t8-,9-;/m0./s1
InChIKeySHFPGUUAHVDCLI-OZZZDHQUSA-N
XLogP0.82
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,6S)-6-amino-3-propanoyl-2,3,6,7-tetrahydro-1H-indolizin-5-one;molecular hydrogen?
The IUPAC name of (3S,6S)-6-amino-3-propanoyl-2,3,6,7-tetrahydro-1H-indolizin-5-one;molecular hydrogen (CID 162390168) is (3S,6S)-6-amino-3-propanoyl-2,3,6,7-tetrahydro-1H-indolizin-5-one;molecular hydrogen.
What is the SMILES notation for (3S,6S)-6-amino-3-propanoyl-2,3,6,7-tetrahydro-1H-indolizin-5-one;molecular hydrogen?
The canonical SMILES for (3S,6S)-6-amino-3-propanoyl-2,3,6,7-tetrahydro-1H-indolizin-5-one;molecular hydrogen is CCC(=O)[C@@H]1CCC2=CC[C@H](N)C(=O)N21.[H][H].
What is the InChIKey of (3S,6S)-6-amino-3-propanoyl-2,3,6,7-tetrahydro-1H-indolizin-5-one;molecular hydrogen?
The InChIKey is SHFPGUUAHVDCLI-OZZZDHQUSA-N. The full InChI is InChI=1S/C11H16N2O2.H2/c1-2-10(14)9-6-4-7-3-5-8(12)11(15)13(7)9;/h3,8-9H,2,4-6,12H2,1H3;1H/t8-,9-;/m0./s1.
What are the key properties of (3S,6S)-6-amino-3-propanoyl-2,3,6,7-tetrahydro-1H-indolizin-5-one;molecular hydrogen?
(3S,6S)-6-amino-3-propanoyl-2,3,6,7-tetrahydro-1H-indolizin-5-one;molecular hydrogen has a molecular weight of 210.28 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-6-amino-3-propanoyl-2,3,6,7-tetrahydro-1H-indolizin-5-one;molecular hydrogen is sourced from PubChem (CID 162390168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).