N-[(2R,3R)-1-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]-1H-pyrrole-3-carboxamide

C11H17N3O3 — CID 140530916

IUPACN-[(2R,3R)-1-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]-1H-pyrrole-3-carboxamide
SMILESC[C@@H](O)[C@@H](NC(=O)c1cc[nH]c1)C(=O)N(C)C
InChIInChI=1S/C11H17N3O3/c1-7(15)9(11(17)14(2)3)13-10(16)8-4-5-12-6-8/h4-7,9,12,15H,1-3H3,(H,13,16)/t7-,9-/m1/s1
InChIKeyZERGVKXKHLSOLI-VXNVDRBHSA-N
MW239.27 g/mol
LogP-0.42
Rot. Bonds4

About N-[(2R,3R)-1-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]-1H-pyrrole-3-carboxamide

N-[(2R,3R)-1-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]-1H-pyrrole-3-carboxamide (PubChem CID 140530916) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-[(2R,3R)-1-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R,3R)-1-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]-1H-pyrrole-3-carboxamide
PubChem CID140530916
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC NameN-[(2R,3R)-1-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]-1H-pyrrole-3-carboxamide
SMILESC[C@@H](O)[C@@H](NC(=O)c1cc[nH]c1)C(=O)N(C)C
InChIInChI=1S/C11H17N3O3/c1-7(15)9(11(17)14(2)3)13-10(16)8-4-5-12-6-8/h4-7,9,12,15H,1-3H3,(H,13,16)/t7-,9-/m1/s1
InChIKeyZERGVKXKHLSOLI-VXNVDRBHSA-N
XLogP-0.42
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-1-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[(2R,3R)-1-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]-1H-pyrrole-3-carboxamide (CID 140530916) is N-[(2R,3R)-1-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(2R,3R)-1-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(2R,3R)-1-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]-1H-pyrrole-3-carboxamide is C[C@@H](O)[C@@H](NC(=O)c1cc[nH]c1)C(=O)N(C)C.
What is the InChIKey of N-[(2R,3R)-1-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]-1H-pyrrole-3-carboxamide?
The InChIKey is ZERGVKXKHLSOLI-VXNVDRBHSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7(15)9(11(17)14(2)3)13-10(16)8-4-5-12-6-8/h4-7,9,12,15H,1-3H3,(H,13,16)/t7-,9-/m1/s1.
What are the key properties of N-[(2R,3R)-1-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]-1H-pyrrole-3-carboxamide?
N-[(2R,3R)-1-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]-1H-pyrrole-3-carboxamide has a molecular weight of 239.27 g/mol, XLogP of -0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-1-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 140530916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).