(2S,5R)-5-(aminomethyl)-N-(9-ethylcarbazol-3-yl)oxolane-2-carboxamide;hydrochloride

C20H24ClN3O2 — CID 120782901

IUPAC(2S,5R)-5-(aminomethyl)-N-(9-ethylcarbazol-3-yl)oxolane-2-carboxamide;hydrochloride
SMILESCCn1c2ccccc2c2cc(NC(=O)[C@@H]3CC[C@H](CN)O3)ccc21.Cl
InChIInChI=1S/C20H23N3O2.ClH/c1-2-23-17-6-4-3-5-15(17)16-11-13(7-9-18(16)23)22-20(24)19-10-8-14(12-21)25-19;/h3-7,9,11,14,19H,2,8,10,12,21H2,1H3,(H,22,24);1H/t14-,19+;/m1./s1
InChIKeyUGJABVUPQBQCDX-MQZJHDQISA-N
MW373.88 g/mol
LogP3.68
Rot. Bonds4

About (2S,5R)-5-(aminomethyl)-N-(9-ethylcarbazol-3-yl)oxolane-2-carboxamide;hydrochloride

(2S,5R)-5-(aminomethyl)-N-(9-ethylcarbazol-3-yl)oxolane-2-carboxamide;hydrochloride (PubChem CID 120782901) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-(9-ethylcarbazol-3-yl)oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-(9-ethylcarbazol-3-yl)oxolane-2-carboxamide;hydrochloride
PubChem CID120782901
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name(2S,5R)-5-(aminomethyl)-N-(9-ethylcarbazol-3-yl)oxolane-2-carboxamide;hydrochloride
SMILESCCn1c2ccccc2c2cc(NC(=O)[C@@H]3CC[C@H](CN)O3)ccc21.Cl
InChIInChI=1S/C20H23N3O2.ClH/c1-2-23-17-6-4-3-5-15(17)16-11-13(7-9-18(16)23)22-20(24)19-10-8-14(12-21)25-19;/h3-7,9,11,14,19H,2,8,10,12,21H2,1H3,(H,22,24);1H/t14-,19+;/m1./s1
InChIKeyUGJABVUPQBQCDX-MQZJHDQISA-N
XLogP3.68
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-phenyloxolane-2-carboxamide;hydrochloride
CID 120782639
(2S)-N-(9-ethylcarbazol-3-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119262851
(2S,5R)-5-(aminomethyl)-N-[3-(phenylcarbamoylamino)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120785329
(2S,5R)-5-(aminomethyl)-N-(1-ethylindazol-6-yl)oxolane-2-carboxamide
CID 120790106
1-acetyl-N-(9-ethylcarbazol-3-yl)piperidine-4-carboxamide
CID 17127014
(2S,5R)-5-(aminomethyl)-N-(4-hydroxyphenyl)oxolane-2-carboxamide;hydrochloride
CID 120801765
(2S,5R)-5-(aminomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120785287
(2S,5R)-5-(aminomethyl)-N-(3-ethoxyphenyl)oxolane-2-carboxamide;hydrochloride
CID 120786061
(2S,5R)-5-(aminomethyl)-N-(3-methylsulfanylphenyl)oxolane-2-carboxamide;hydrochloride
CID 120782725
(2S,5R)-5-(aminomethyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)oxolane-2-carboxamide
CID 120791570
(2S,5R)-5-(aminomethyl)-N-(2,3-dihydro-1H-inden-5-yl)oxolane-2-carboxamide;hydrochloride
CID 120783405
(2S,5R)-5-(aminomethyl)-N-[3-(methylcarbamoylamino)phenyl]oxolane-2-carboxamide
CID 120785446

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-(9-ethylcarbazol-3-yl)oxolane-2-carboxamide;hydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-(9-ethylcarbazol-3-yl)oxolane-2-carboxamide;hydrochloride (CID 120782901) is (2S,5R)-5-(aminomethyl)-N-(9-ethylcarbazol-3-yl)oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-(9-ethylcarbazol-3-yl)oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-(9-ethylcarbazol-3-yl)oxolane-2-carboxamide;hydrochloride is CCn1c2ccccc2c2cc(NC(=O)[C@@H]3CC[C@H](CN)O3)ccc21.Cl.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-(9-ethylcarbazol-3-yl)oxolane-2-carboxamide;hydrochloride?
The InChIKey is UGJABVUPQBQCDX-MQZJHDQISA-N. The full InChI is InChI=1S/C20H23N3O2.ClH/c1-2-23-17-6-4-3-5-15(17)16-11-13(7-9-18(16)23)22-20(24)19-10-8-14(12-21)25-19;/h3-7,9,11,14,19H,2,8,10,12,21H2,1H3,(H,22,24);1H/t14-,19+;/m1./s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-(9-ethylcarbazol-3-yl)oxolane-2-carboxamide;hydrochloride?
(2S,5R)-5-(aminomethyl)-N-(9-ethylcarbazol-3-yl)oxolane-2-carboxamide;hydrochloride has a molecular weight of 373.88 g/mol, XLogP of 3.68, 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-(9-ethylcarbazol-3-yl)oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120782901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).