4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-propan-2-ylpyrrole-2-carboxamide

C14H23N3O3 — CID 106099117

IUPAC4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(N)cc1C(=O)NCC1(O)CCOC1C
InChIInChI=1S/C14H23N3O3/c1-9(2)17-7-11(15)6-12(17)13(18)16-8-14(19)4-5-20-10(14)3/h6-7,9-10,19H,4-5,8,15H2,1-3H3,(H,16,18)
InChIKeyOGLCKIHFYRBYIX-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.92
Rot. Bonds4

About 4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-propan-2-ylpyrrole-2-carboxamide

4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 106099117) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID106099117
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(N)cc1C(=O)NCC1(O)CCOC1C
InChIInChI=1S/C14H23N3O3/c1-9(2)17-7-11(15)6-12(17)13(18)16-8-14(19)4-5-20-10(14)3/h6-7,9-10,19H,4-5,8,15H2,1-3H3,(H,16,18)
InChIKeyOGLCKIHFYRBYIX-UHFFFAOYSA-N
XLogP0.92
TPSA89.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 107301962
2-methyl-3-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]oxolan-3-ol
CID 106100251
4-amino-2-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 106099080
5-amino-2-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 106099116
4-amino-N-(oxan-2-ylmethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 55014453
2-(4-aminophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 106099096
4-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzene-1,4-dicarboxamide
CID 107302150
3,5-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 107302216
3,4,5-trichloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]pyridine-2-carboxamide
CID 107302208
5-bromo-2-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]pyridine-3-carboxamide
CID 107301534
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylbenzamide
CID 107302098
(E)-3-(4-aminophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]prop-2-enamide
CID 106101730

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-propan-2-ylpyrrole-2-carboxamide (CID 106099117) is 4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cc(N)cc1C(=O)NCC1(O)CCOC1C.
What is the InChIKey of 4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is OGLCKIHFYRBYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-9(2)17-7-11(15)6-12(17)13(18)16-8-14(19)4-5-20-10(14)3/h6-7,9-10,19H,4-5,8,15H2,1-3H3,(H,16,18).
What are the key properties of 4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-propan-2-ylpyrrole-2-carboxamide?
4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 106099117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).