(2S,5R)-5-(aminomethyl)-N-(1,2-dihydroacenaphthylen-5-yl)oxolane-2-carboxamide

C18H20N2O2 — CID 120785060

IUPAC(2S,5R)-5-(aminomethyl)-N-(1,2-dihydroacenaphthylen-5-yl)oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)Nc2ccc3c4c(cccc24)CC3)O1
InChIInChI=1S/C18H20N2O2/c19-10-13-7-9-16(22-13)18(21)20-15-8-6-12-5-4-11-2-1-3-14(15)17(11)12/h1-3,6,8,13,16H,4-5,7,9-10,19H2,(H,20,21)/t13-,16+/m1/s1
InChIKeyQYDMHNPGKNCXJC-CJNGLKHVSA-N
MW296.37 g/mol
LogP2.38
Rot. Bonds3

About (2S,5R)-5-(aminomethyl)-N-(1,2-dihydroacenaphthylen-5-yl)oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-(1,2-dihydroacenaphthylen-5-yl)oxolane-2-carboxamide (PubChem CID 120785060) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-(1,2-dihydroacenaphthylen-5-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-(1,2-dihydroacenaphthylen-5-yl)oxolane-2-carboxamide
PubChem CID120785060
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(2S,5R)-5-(aminomethyl)-N-(1,2-dihydroacenaphthylen-5-yl)oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)Nc2ccc3c4c(cccc24)CC3)O1
InChIInChI=1S/C18H20N2O2/c19-10-13-7-9-16(22-13)18(21)20-15-8-6-12-5-4-11-2-1-3-14(15)17(11)12/h1-3,6,8,13,16H,4-5,7,9-10,19H2,(H,20,21)/t13-,16+/m1/s1
InChIKeyQYDMHNPGKNCXJC-CJNGLKHVSA-N
XLogP2.38
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-(2-hydroxyphenyl)oxolane-2-carboxamide
CID 120801756
(2S,5R)-5-(aminomethyl)-N-(3-benzamido-2-methylphenyl)oxolane-2-carboxamide
CID 120789036
(2S,5R)-5-(aminomethyl)-N-phenyloxolane-2-carboxamide;hydrochloride
CID 120782639
(2S,5R)-5-(aminomethyl)-N-(2,4-difluorophenyl)oxolane-2-carboxamide;hydrochloride
CID 120782929
(2S,5R)-5-(aminomethyl)-N-(4-bromo-2-fluorophenyl)oxolane-2-carboxamide
CID 120782948
(2S,5R)-5-(aminomethyl)-N-(2,3-dihydro-1H-inden-5-yl)oxolane-2-carboxamide;hydrochloride
CID 120783405
(2S,5R)-5-(aminomethyl)-N-(4-chloro-2-methylphenyl)oxolane-2-carboxamide;hydrochloride
CID 120782775
(2S,5R)-5-(aminomethyl)-N-(2-propoxyphenyl)oxolane-2-carboxamide
CID 120783910
(2S,5R)-5-(aminomethyl)-N-(2,4,5-trifluorophenyl)oxolane-2-carboxamide;hydrochloride
CID 120786075
(2S,5R)-5-(aminomethyl)-N-(3-hydroxyphenyl)oxolane-2-carboxamide;hydrochloride
CID 120801761
(2S,5R)-5-(aminomethyl)-N-(1-methyl-2-oxo-3-pyridinyl)oxolane-2-carboxamide
CID 120793010
(2S,5R)-5-(aminomethyl)-N-[2-(dimethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 120787008

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-(1,2-dihydroacenaphthylen-5-yl)oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-(1,2-dihydroacenaphthylen-5-yl)oxolane-2-carboxamide (CID 120785060) is (2S,5R)-5-(aminomethyl)-N-(1,2-dihydroacenaphthylen-5-yl)oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-(1,2-dihydroacenaphthylen-5-yl)oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-(1,2-dihydroacenaphthylen-5-yl)oxolane-2-carboxamide is NC[C@H]1CC[C@@H](C(=O)Nc2ccc3c4c(cccc24)CC3)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-(1,2-dihydroacenaphthylen-5-yl)oxolane-2-carboxamide?
The InChIKey is QYDMHNPGKNCXJC-CJNGLKHVSA-N. The full InChI is InChI=1S/C18H20N2O2/c19-10-13-7-9-16(22-13)18(21)20-15-8-6-12-5-4-11-2-1-3-14(15)17(11)12/h1-3,6,8,13,16H,4-5,7,9-10,19H2,(H,20,21)/t13-,16+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-(1,2-dihydroacenaphthylen-5-yl)oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-(1,2-dihydroacenaphthylen-5-yl)oxolane-2-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.38, 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-(1,2-dihydroacenaphthylen-5-yl)oxolane-2-carboxamide is sourced from PubChem (CID 120785060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).