(2S,5R)-5-(aminomethyl)-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)oxolane-2-carboxamide

C15H19ClN2O2 — CID 120789364

IUPAC(2S,5R)-5-(aminomethyl)-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)NC2CCc3cc(Cl)ccc32)O1
InChIInChI=1S/C15H19ClN2O2/c16-10-2-4-12-9(7-10)1-5-13(12)18-15(19)14-6-3-11(8-17)20-14/h2,4,7,11,13-14H,1,3,5-6,8,17H2,(H,18,19)/t11-,13?,14+/m1/s1
InChIKeyAVWUGDNJZDQGOY-VFXSIBAZSA-N
MW294.78 g/mol
LogP1.95
Rot. Bonds3

About (2S,5R)-5-(aminomethyl)-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)oxolane-2-carboxamide (PubChem CID 120789364) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)oxolane-2-carboxamide
PubChem CID120789364
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name(2S,5R)-5-(aminomethyl)-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)NC2CCc3cc(Cl)ccc32)O1
InChIInChI=1S/C15H19ClN2O2/c16-10-2-4-12-9(7-10)1-5-13(12)18-15(19)14-6-3-11(8-17)20-14/h2,4,7,11,13-14H,1,3,5-6,8,17H2,(H,18,19)/t11-,13?,14+/m1/s1
InChIKeyAVWUGDNJZDQGOY-VFXSIBAZSA-N
XLogP1.95
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)oxolane-2-carboxamide (CID 120789364) is (2S,5R)-5-(aminomethyl)-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)oxolane-2-carboxamide is NC[C@H]1CC[C@@H](C(=O)NC2CCc3cc(Cl)ccc32)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)oxolane-2-carboxamide?
The InChIKey is AVWUGDNJZDQGOY-VFXSIBAZSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c16-10-2-4-12-9(7-10)1-5-13(12)18-15(19)14-6-3-11(8-17)20-14/h2,4,7,11,13-14H,1,3,5-6,8,17H2,(H,18,19)/t11-,13?,14+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)oxolane-2-carboxamide has a molecular weight of 294.78 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)oxolane-2-carboxamide is sourced from PubChem (CID 120789364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).