(2R)-2-amino-3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide

C12H21N3O — CID 106390787

IUPAC(2R)-2-amino-3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide
SMILESCn1ccc(CNC(=O)[C@H](N)C(C)(C)C)c1
InChIInChI=1S/C12H21N3O/c1-12(2,3)10(13)11(16)14-7-9-5-6-15(4)8-9/h5-6,8,10H,7,13H2,1-4H3,(H,14,16)/t10-/m0/s1
InChIKeyRXYHBBKNBWTPNN-JTQLQIEISA-N
MW223.32 g/mol
LogP1.01
Rot. Bonds3

About (2R)-2-amino-3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide

(2R)-2-amino-3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide (PubChem CID 106390787) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is (2R)-2-amino-3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide
PubChem CID106390787
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name(2R)-2-amino-3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide
SMILESCn1ccc(CNC(=O)[C@H](N)C(C)(C)C)c1
InChIInChI=1S/C12H21N3O/c1-12(2,3)10(13)11(16)14-7-9-5-6-15(4)8-9/h5-6,8,10H,7,13H2,1-4H3,(H,14,16)/t10-/m0/s1
InChIKeyRXYHBBKNBWTPNN-JTQLQIEISA-N
XLogP1.01
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide
CID 83621902
2-hydroxy-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide
CID 106509800
(2S)-2-amino-3,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 106384847
(2S)-2-amino-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 61148496
(2R)-2-amino-N-[(4-bromophenyl)methyl]-3,3-dimethylbutanamide
CID 103928385
3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide
CID 110782535
4-amino-N-[(1-methylpyrrol-3-yl)methyl]pentanamide
CID 106813362
(2S)-2-amino-N-[(3-chloro-4-fluorophenyl)methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119707921
(2S)-2-amino-3,3-dimethyl-N-[(4-sulfamoylphenyl)methyl]butanamide
CID 61148344
3-[[(2-amino-3,3-dimethylbutanoyl)amino]methyl]benzoic acid
CID 76894229
methyl 4-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]benzoate
CID 61274721
2-amino-3,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 76994588

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide?
The IUPAC name of (2R)-2-amino-3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide (CID 106390787) is (2R)-2-amino-3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide.
What is the SMILES notation for (2R)-2-amino-3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide?
The canonical SMILES for (2R)-2-amino-3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide is Cn1ccc(CNC(=O)[C@H](N)C(C)(C)C)c1.
What is the InChIKey of (2R)-2-amino-3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide?
The InChIKey is RXYHBBKNBWTPNN-JTQLQIEISA-N. The full InChI is InChI=1S/C12H21N3O/c1-12(2,3)10(13)11(16)14-7-9-5-6-15(4)8-9/h5-6,8,10H,7,13H2,1-4H3,(H,14,16)/t10-/m0/s1.
What are the key properties of (2R)-2-amino-3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide?
(2R)-2-amino-3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide has a molecular weight of 223.32 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide is sourced from PubChem (CID 106390787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).