N-(3-amino-2-hydroxypropyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide

C12H23N3O2 — CID 14305434

IUPACN-(3-amino-2-hydroxypropyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
SMILESCC1(C)C=C(C(=O)NCC(O)CN)C(C)(C)N1
InChIInChI=1S/C12H23N3O2/c1-11(2)5-9(12(3,4)15-11)10(17)14-7-8(16)6-13/h5,8,15-16H,6-7,13H2,1-4H3,(H,14,17)
InChIKeyJUGVRRPKIHNDEF-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.49
Rot. Bonds4

About N-(3-amino-2-hydroxypropyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide

N-(3-amino-2-hydroxypropyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide (PubChem CID 14305434) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(3-amino-2-hydroxypropyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxypropyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
PubChem CID14305434
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-(3-amino-2-hydroxypropyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
SMILESCC1(C)C=C(C(=O)NCC(O)CN)C(C)(C)N1
InChIInChI=1S/C12H23N3O2/c1-11(2)5-9(12(3,4)15-11)10(17)14-7-8(16)6-13/h5,8,15-16H,6-7,13H2,1-4H3,(H,14,17)
InChIKeyJUGVRRPKIHNDEF-UHFFFAOYSA-N
XLogP-0.49
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxypropyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-(3-amino-2-hydroxypropyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide (CID 14305434) is N-(3-amino-2-hydroxypropyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-(3-amino-2-hydroxypropyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-(3-amino-2-hydroxypropyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide is CC1(C)C=C(C(=O)NCC(O)CN)C(C)(C)N1.
What is the InChIKey of N-(3-amino-2-hydroxypropyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide?
The InChIKey is JUGVRRPKIHNDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-11(2)5-9(12(3,4)15-11)10(17)14-7-8(16)6-13/h5,8,15-16H,6-7,13H2,1-4H3,(H,14,17).
What are the key properties of N-(3-amino-2-hydroxypropyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide?
N-(3-amino-2-hydroxypropyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide has a molecular weight of 241.33 g/mol, XLogP of -0.49, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxypropyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 14305434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).