(2S,5R)-5-(aminomethyl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]oxolane-2-carboxamide;dihydrochloride

C13H20Cl2N4O3 — CID 120799515

IUPAC(2S,5R)-5-(aminomethyl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]oxolane-2-carboxamide;dihydrochloride
SMILESCl.Cl.NC[C@H]1CC[C@@H](C(=O)NCC(=O)Nc2cccnc2)O1
InChIInChI=1S/C13H18N4O3.2ClH/c14-6-10-3-4-11(20-10)13(19)16-8-12(18)17-9-2-1-5-15-7-9;;/h1-2,5,7,10-11H,3-4,6,8,14H2,(H,16,19)(H,17,18);2*1H/t10-,11+;;/m1../s1
InChIKeyGWKZBYQQZORGEG-OXPNAJOUSA-N
MW351.23 g/mol
LogP0.49
Rot. Bonds5

About (2S,5R)-5-(aminomethyl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]oxolane-2-carboxamide;dihydrochloride

(2S,5R)-5-(aminomethyl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]oxolane-2-carboxamide;dihydrochloride (PubChem CID 120799515) has the molecular formula C13H20Cl2N4O3 and a molecular weight of 351.23 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]oxolane-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]oxolane-2-carboxamide;dihydrochloride
PubChem CID120799515
Molecular FormulaC13H20Cl2N4O3
Molecular Weight351.23 g/mol
Exact Mass350.09
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]oxolane-2-carboxamide;dihydrochloride
SMILESCl.Cl.NC[C@H]1CC[C@@H](C(=O)NCC(=O)Nc2cccnc2)O1
InChIInChI=1S/C13H18N4O3.2ClH/c14-6-10-3-4-11(20-10)13(19)16-8-12(18)17-9-2-1-5-15-7-9;;/h1-2,5,7,10-11H,3-4,6,8,14H2,(H,16,19)(H,17,18);2*1H/t10-,11+;;/m1../s1
InChIKeyGWKZBYQQZORGEG-OXPNAJOUSA-N
XLogP0.49
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S,5R)-5-(aminomethyl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]oxolane-2-carboxamide;dihydrochloride with MolForge

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[[4-(pyridin-3-ylcarbamoyl)phenyl]methyl]oxolane-2-carboxamide;dihydrochloride
CID 120801097
(2S,5R)-5-(aminomethyl)-N-[2-(3-ethylanilino)-2-oxoethyl]oxolane-2-carboxamide;hydrochloride
CID 120791103
N-[2-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]ethyl]pyridine-3-carboxamide;dihydrochloride
CID 120798153
(2S,5R)-5-(aminomethyl)-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]oxolane-2-carboxamide
CID 120799520
(2S,5R)-5-(aminomethyl)-N-phenyloxolane-2-carboxamide;hydrochloride
CID 120782639
(2S,5R)-5-(aminomethyl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)oxolane-2-carboxamide;dihydrochloride
CID 120799083
(2S,5R)-5-(aminomethyl)-N-[(1S)-1-pyridin-3-ylethyl]oxolane-2-carboxamide
CID 120799038
2-(cyclopropylmethylamino)-N-pyridin-3-ylacetamide;dihydrochloride
CID 119827153
5-(aminomethyl)-N-(4-chloro-3-pyridinyl)oxolane-2-carboxamide
CID 83167410
(2S,5R)-5-(aminomethyl)-N-methyl-N-pyridin-3-yloxolane-2-carboxamide;dihydrochloride
CID 120800635
N-[2-oxo-2-(pyridin-3-ylamino)ethyl]piperidine-3-carboxamide
CID 119871359
(2S,5R)-5-(aminomethyl)-N-(3-hydroxyphenyl)oxolane-2-carboxamide;hydrochloride
CID 120801761

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]oxolane-2-carboxamide;dihydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]oxolane-2-carboxamide;dihydrochloride (CID 120799515) is (2S,5R)-5-(aminomethyl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]oxolane-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]oxolane-2-carboxamide;dihydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]oxolane-2-carboxamide;dihydrochloride is Cl.Cl.NC[C@H]1CC[C@@H](C(=O)NCC(=O)Nc2cccnc2)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]oxolane-2-carboxamide;dihydrochloride?
The InChIKey is GWKZBYQQZORGEG-OXPNAJOUSA-N. The full InChI is InChI=1S/C13H18N4O3.2ClH/c14-6-10-3-4-11(20-10)13(19)16-8-12(18)17-9-2-1-5-15-7-9;;/h1-2,5,7,10-11H,3-4,6,8,14H2,(H,16,19)(H,17,18);2*1H/t10-,11+;;/m1../s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]oxolane-2-carboxamide;dihydrochloride?
(2S,5R)-5-(aminomethyl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]oxolane-2-carboxamide;dihydrochloride has a molecular weight of 351.23 g/mol, XLogP of 0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]oxolane-2-carboxamide;dihydrochloride is sourced from PubChem (CID 120799515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).