(2S,5R)-5-(aminomethyl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]oxolane-2-carboxamide

C16H21N3O3 — CID 120791668

IUPAC(2S,5R)-5-(aminomethyl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)NCC(=O)N2CCc3ccccc32)O1
InChIInChI=1S/C16H21N3O3/c17-9-12-5-6-14(22-12)16(21)18-10-15(20)19-8-7-11-3-1-2-4-13(11)19/h1-4,12,14H,5-10,17H2,(H,18,21)/t12-,14+/m1/s1
InChIKeyLKHYOHLNRLBICI-OCCSQVGLSA-N
MW303.36 g/mol
LogP0.20
Rot. Bonds4

About (2S,5R)-5-(aminomethyl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]oxolane-2-carboxamide (PubChem CID 120791668) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]oxolane-2-carboxamide
PubChem CID120791668
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)NCC(=O)N2CCc3ccccc32)O1
InChIInChI=1S/C16H21N3O3/c17-9-12-5-6-14(22-12)16(21)18-10-15(20)19-8-7-11-3-1-2-4-13(11)19/h1-4,12,14H,5-10,17H2,(H,18,21)/t12-,14+/m1/s1
InChIKeyLKHYOHLNRLBICI-OCCSQVGLSA-N
XLogP0.20
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,5R)-5-(aminomethyl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]oxolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,3-dihydroindol-1-yl)methanone
CID 120782912
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 134813227
2-(cyclopropylamino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 60648595
4-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]butanamide;hydrochloride
CID 119315166
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]propanamide
CID 47413298
7-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]heptanamide
CID 119769035
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673139
2-[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 40777845
(2S,5R)-5-(aminomethyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]oxolane-2-carboxamide
CID 120797320
1-tert-butyl-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]urea
CID 46383527
5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]furan-2-carboxamide
CID 2453360
(2S,5R)-5-(aminomethyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]oxolane-2-carboxamide
CID 120797326

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]oxolane-2-carboxamide (CID 120791668) is (2S,5R)-5-(aminomethyl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]oxolane-2-carboxamide is NC[C@H]1CC[C@@H](C(=O)NCC(=O)N2CCc3ccccc32)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]oxolane-2-carboxamide?
The InChIKey is LKHYOHLNRLBICI-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H21N3O3/c17-9-12-5-6-14(22-12)16(21)18-10-15(20)19-8-7-11-3-1-2-4-13(11)19/h1-4,12,14H,5-10,17H2,(H,18,21)/t12-,14+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]oxolane-2-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]oxolane-2-carboxamide is sourced from PubChem (CID 120791668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).