N-[2-[(2R,5R)-3-hydroxy-5-methyl-2,5-dihydro-1H-pyrrol-2-yl]ethyl]-3,3-dimethylbutanamide

C13H24N2O2 — CID 138462263

IUPACN-[2-[(2R,5R)-3-hydroxy-5-methyl-2,5-dihydro-1H-pyrrol-2-yl]ethyl]-3,3-dimethylbutanamide
SMILESC[C@@H]1C=C(O)[C@@H](CCNC(=O)CC(C)(C)C)N1
InChIInChI=1S/C13H24N2O2/c1-9-7-11(16)10(15-9)5-6-14-12(17)8-13(2,3)4/h7,9-10,15-16H,5-6,8H2,1-4H3,(H,14,17)/t9-,10-/m1/s1
InChIKeyLBFXXIOOBREORS-NXEZZACHSA-N
MW240.35 g/mol
LogP1.73
Rot. Bonds4

About N-[2-[(2R,5R)-3-hydroxy-5-methyl-2,5-dihydro-1H-pyrrol-2-yl]ethyl]-3,3-dimethylbutanamide

N-[2-[(2R,5R)-3-hydroxy-5-methyl-2,5-dihydro-1H-pyrrol-2-yl]ethyl]-3,3-dimethylbutanamide (PubChem CID 138462263) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[2-[(2R,5R)-3-hydroxy-5-methyl-2,5-dihydro-1H-pyrrol-2-yl]ethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-[(2R,5R)-3-hydroxy-5-methyl-2,5-dihydro-1H-pyrrol-2-yl]ethyl]-3,3-dimethylbutanamide
PubChem CID138462263
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-[2-[(2R,5R)-3-hydroxy-5-methyl-2,5-dihydro-1H-pyrrol-2-yl]ethyl]-3,3-dimethylbutanamide
SMILESC[C@@H]1C=C(O)[C@@H](CCNC(=O)CC(C)(C)C)N1
InChIInChI=1S/C13H24N2O2/c1-9-7-11(16)10(15-9)5-6-14-12(17)8-13(2,3)4/h7,9-10,15-16H,5-6,8H2,1-4H3,(H,14,17)/t9-,10-/m1/s1
InChIKeyLBFXXIOOBREORS-NXEZZACHSA-N
XLogP1.73
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R,5R)-3-hydroxy-5-methyl-2,5-dihydro-1H-pyrrol-2-yl]ethyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-[(2R,5R)-3-hydroxy-5-methyl-2,5-dihydro-1H-pyrrol-2-yl]ethyl]-3,3-dimethylbutanamide (CID 138462263) is N-[2-[(2R,5R)-3-hydroxy-5-methyl-2,5-dihydro-1H-pyrrol-2-yl]ethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-[(2R,5R)-3-hydroxy-5-methyl-2,5-dihydro-1H-pyrrol-2-yl]ethyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-[(2R,5R)-3-hydroxy-5-methyl-2,5-dihydro-1H-pyrrol-2-yl]ethyl]-3,3-dimethylbutanamide is C[C@@H]1C=C(O)[C@@H](CCNC(=O)CC(C)(C)C)N1.
What is the InChIKey of N-[2-[(2R,5R)-3-hydroxy-5-methyl-2,5-dihydro-1H-pyrrol-2-yl]ethyl]-3,3-dimethylbutanamide?
The InChIKey is LBFXXIOOBREORS-NXEZZACHSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9-7-11(16)10(15-9)5-6-14-12(17)8-13(2,3)4/h7,9-10,15-16H,5-6,8H2,1-4H3,(H,14,17)/t9-,10-/m1/s1.
What are the key properties of N-[2-[(2R,5R)-3-hydroxy-5-methyl-2,5-dihydro-1H-pyrrol-2-yl]ethyl]-3,3-dimethylbutanamide?
N-[2-[(2R,5R)-3-hydroxy-5-methyl-2,5-dihydro-1H-pyrrol-2-yl]ethyl]-3,3-dimethylbutanamide has a molecular weight of 240.35 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R,5R)-3-hydroxy-5-methyl-2,5-dihydro-1H-pyrrol-2-yl]ethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 138462263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).