(2S,5R)-5-(aminomethyl)-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]oxolane-2-carboxamide;hydrochloride

C17H24ClN3O3 — CID 120792105

IUPAC(2S,5R)-5-(aminomethyl)-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]oxolane-2-carboxamide;hydrochloride
SMILESCC(NC(=O)[C@@H]1CC[C@H](CN)O1)c1ccc2c(c1)CC(=O)N2C.Cl
InChIInChI=1S/C17H23N3O3.ClH/c1-10(19-17(22)15-6-4-13(9-18)23-15)11-3-5-14-12(7-11)8-16(21)20(14)2;/h3,5,7,10,13,15H,4,6,8-9,18H2,1-2H3,(H,19,22);1H/t10?,13-,15+;/m1./s1
InChIKeyCULZTHSBKNYGRQ-JOWLFCJGSA-N
MW353.85 g/mol
LogP1.31
Rot. Bonds4

About (2S,5R)-5-(aminomethyl)-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]oxolane-2-carboxamide;hydrochloride

(2S,5R)-5-(aminomethyl)-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]oxolane-2-carboxamide;hydrochloride (PubChem CID 120792105) has the molecular formula C17H24ClN3O3 and a molecular weight of 353.85 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]oxolane-2-carboxamide;hydrochloride
PubChem CID120792105
Molecular FormulaC17H24ClN3O3
Molecular Weight353.85 g/mol
Exact Mass353.15
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]oxolane-2-carboxamide;hydrochloride
SMILESCC(NC(=O)[C@@H]1CC[C@H](CN)O1)c1ccc2c(c1)CC(=O)N2C.Cl
InChIInChI=1S/C17H23N3O3.ClH/c1-10(19-17(22)15-6-4-13(9-18)23-15)11-3-5-14-12(7-11)8-16(21)20(14)2;/h3,5,7,10,13,15H,4,6,8-9,18H2,1-2H3,(H,19,22);1H/t10?,13-,15+;/m1./s1
InChIKeyCULZTHSBKNYGRQ-JOWLFCJGSA-N
XLogP1.31
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[1-(3,4-difluorophenyl)ethyl]oxolane-2-carboxamide
CID 120784096
(2R)-2-amino-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]propanamide;hydrochloride
CID 119317931
5-(aminomethyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]oxolane-2-carboxamide
CID 81363772
5-(aminomethyl)-N-[(1S)-1-pyridin-4-ylethyl]oxolane-2-carboxamide
CID 81410076
(2S,5R)-5-(aminomethyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]oxolane-2-carboxamide
CID 120784604
(2S,5R)-5-(aminomethyl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]oxolane-2-carboxamide
CID 120793588
(2S,5R)-5-(aminomethyl)-N-[1-(4-phenoxyphenyl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120791365
2-amino-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-2-(oxan-4-yl)acetamide
CID 120792108
(2S,5R)-5-(aminomethyl)-N-[1-(3-nitrophenyl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120787079
(2S,5R)-5-(aminomethyl)-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]oxolane-2-carboxamide;hydrochloride
CID 120787279
(2S,5R)-5-(aminomethyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]oxolane-2-carboxamide
CID 120786152
(2S,5R)-5-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxolane-2-carboxamide
CID 120784156

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]oxolane-2-carboxamide;hydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]oxolane-2-carboxamide;hydrochloride (CID 120792105) is (2S,5R)-5-(aminomethyl)-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]oxolane-2-carboxamide;hydrochloride is CC(NC(=O)[C@@H]1CC[C@H](CN)O1)c1ccc2c(c1)CC(=O)N2C.Cl.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]oxolane-2-carboxamide;hydrochloride?
The InChIKey is CULZTHSBKNYGRQ-JOWLFCJGSA-N. The full InChI is InChI=1S/C17H23N3O3.ClH/c1-10(19-17(22)15-6-4-13(9-18)23-15)11-3-5-14-12(7-11)8-16(21)20(14)2;/h3,5,7,10,13,15H,4,6,8-9,18H2,1-2H3,(H,19,22);1H/t10?,13-,15+;/m1./s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]oxolane-2-carboxamide;hydrochloride?
(2S,5R)-5-(aminomethyl)-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]oxolane-2-carboxamide;hydrochloride has a molecular weight of 353.85 g/mol, XLogP of 1.31, 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-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120792105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).