(2S,5R)-5-(aminomethyl)-N-(1-ethylindazol-6-yl)oxolane-2-carboxamide

C15H20N4O2 — CID 120790106

IUPAC(2S,5R)-5-(aminomethyl)-N-(1-ethylindazol-6-yl)oxolane-2-carboxamide
SMILESCCn1ncc2ccc(NC(=O)[C@@H]3CC[C@H](CN)O3)cc21
InChIInChI=1S/C15H20N4O2/c1-2-19-13-7-11(4-3-10(13)9-17-19)18-15(20)14-6-5-12(8-16)21-14/h3-4,7,9,12,14H,2,5-6,8,16H2,1H3,(H,18,20)/t12-,14+/m1/s1
InChIKeyCRBBKBXZJRREDZ-OCCSQVGLSA-N
MW288.35 g/mol
LogP1.50
Rot. Bonds4

About (2S,5R)-5-(aminomethyl)-N-(1-ethylindazol-6-yl)oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-(1-ethylindazol-6-yl)oxolane-2-carboxamide (PubChem CID 120790106) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-(1-ethylindazol-6-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-(1-ethylindazol-6-yl)oxolane-2-carboxamide
PubChem CID120790106
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name(2S,5R)-5-(aminomethyl)-N-(1-ethylindazol-6-yl)oxolane-2-carboxamide
SMILESCCn1ncc2ccc(NC(=O)[C@@H]3CC[C@H](CN)O3)cc21
InChIInChI=1S/C15H20N4O2/c1-2-19-13-7-11(4-3-10(13)9-17-19)18-15(20)14-6-5-12(8-16)21-14/h3-4,7,9,12,14H,2,5-6,8,16H2,1H3,(H,18,20)/t12-,14+/m1/s1
InChIKeyCRBBKBXZJRREDZ-OCCSQVGLSA-N
XLogP1.50
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)oxolane-2-carboxamide
CID 120791570
(2S,5R)-5-(aminomethyl)-N-(9-ethylcarbazol-3-yl)oxolane-2-carboxamide;hydrochloride
CID 120782901
(2S,5R)-5-(aminomethyl)-N-(4-methylphenyl)oxolane-2-carboxamide
CID 120782708
(2S,5R)-5-(aminomethyl)-N-[4-(carbamoylamino)phenyl]oxolane-2-carboxamide
CID 120785402
N-(1-ethylindazol-6-yl)-1,3-thiazolidine-4-carboxamide
CID 119305675
(2S,5R)-5-(aminomethyl)-N-(2-methyl-1H-indol-5-yl)oxolane-2-carboxamide
CID 120785796
(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-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide
CID 120782541
N-(1-ethylindazol-6-yl)-2-(methylamino)acetamide;hydrochloride
CID 119752857
(2S,5R)-5-(aminomethyl)-N-(3-ethoxy-4-methoxyphenyl)oxolane-2-carboxamide
CID 120786894
(2S,5R)-5-(aminomethyl)-N-(4-bromo-3-fluorophenyl)oxolane-2-carboxamide
CID 120785826

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-(1-ethylindazol-6-yl)oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-(1-ethylindazol-6-yl)oxolane-2-carboxamide (CID 120790106) is (2S,5R)-5-(aminomethyl)-N-(1-ethylindazol-6-yl)oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-(1-ethylindazol-6-yl)oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-(1-ethylindazol-6-yl)oxolane-2-carboxamide is CCn1ncc2ccc(NC(=O)[C@@H]3CC[C@H](CN)O3)cc21.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-(1-ethylindazol-6-yl)oxolane-2-carboxamide?
The InChIKey is CRBBKBXZJRREDZ-OCCSQVGLSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-2-19-13-7-11(4-3-10(13)9-17-19)18-15(20)14-6-5-12(8-16)21-14/h3-4,7,9,12,14H,2,5-6,8,16H2,1H3,(H,18,20)/t12-,14+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-(1-ethylindazol-6-yl)oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-(1-ethylindazol-6-yl)oxolane-2-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-(1-ethylindazol-6-yl)oxolane-2-carboxamide is sourced from PubChem (CID 120790106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).