(2S,5R)-5-(aminomethyl)-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]oxolane-2-carboxamide

C17H20N4O3 — CID 120799520

IUPAC(2S,5R)-5-(aminomethyl)-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)NCC(=O)Nc2cccc3cccnc23)O1
InChIInChI=1S/C17H20N4O3/c18-9-12-6-7-14(24-12)17(23)20-10-15(22)21-13-5-1-3-11-4-2-8-19-16(11)13/h1-5,8,12,14H,6-7,9-10,18H2,(H,20,23)(H,21,22)/t12-,14+/m1/s1
InChIKeyLPBUGJYBAQOSMB-OCCSQVGLSA-N
MW328.37 g/mol
LogP0.80
Rot. Bonds5

About (2S,5R)-5-(aminomethyl)-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]oxolane-2-carboxamide (PubChem CID 120799520) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]oxolane-2-carboxamide
PubChem CID120799520
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)NCC(=O)Nc2cccc3cccnc23)O1
InChIInChI=1S/C17H20N4O3/c18-9-12-6-7-14(24-12)17(23)20-10-15(22)21-13-5-1-3-11-4-2-8-19-16(11)13/h1-5,8,12,14H,6-7,9-10,18H2,(H,20,23)(H,21,22)/t12-,14+/m1/s1
InChIKeyLPBUGJYBAQOSMB-OCCSQVGLSA-N
XLogP0.80
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]oxolane-2-carboxamide;dihydrochloride
CID 120799515
(2S,5R)-5-(aminomethyl)-N-[2-(3-ethylanilino)-2-oxoethyl]oxolane-2-carboxamide;hydrochloride
CID 120791103
2,2-dimethyl-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]propanamide
CID 17424107
(3S)-1-ethyl-5-oxo-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]pyrrolidine-3-carboxamide
CID 125145796
2-nitro-N-quinolin-8-ylacetamide
CID 108814489
4-amino-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]pentanamide;dihydrochloride
CID 120565209
N-cyclopentyl-N'-quinolin-8-ylpropanediamide
CID 108942283
(2S,5R)-5-(aminomethyl)-N-(naphthalen-1-ylmethyl)oxolane-2-carboxamide;hydrochloride
CID 120786169
4-bromo-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide
CID 78785378
2-fluoro-N-quinolin-8-ylacetamide
CID 175257606
1-[[(2S)-oxolan-2-yl]methyl]-1-[[(2R)-oxolan-2-yl]methyl]-3-quinolin-8-ylurea
CID 95152122
N-quinolin-8-yloxane-2-carboxamide
CID 110863491

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]oxolane-2-carboxamide (CID 120799520) is (2S,5R)-5-(aminomethyl)-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]oxolane-2-carboxamide is NC[C@H]1CC[C@@H](C(=O)NCC(=O)Nc2cccc3cccnc23)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]oxolane-2-carboxamide?
The InChIKey is LPBUGJYBAQOSMB-OCCSQVGLSA-N. The full InChI is InChI=1S/C17H20N4O3/c18-9-12-6-7-14(24-12)17(23)20-10-15(22)21-13-5-1-3-11-4-2-8-19-16(11)13/h1-5,8,12,14H,6-7,9-10,18H2,(H,20,23)(H,21,22)/t12-,14+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]oxolane-2-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 0.80, 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-(quinolin-8-ylamino)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 120799520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).