(2S)-2-amino-4-methyl-N-(1H-pyrrol-3-ylmethyl)pentanamide

C11H19N3O — CID 106384795

IUPAC(2S)-2-amino-4-methyl-N-(1H-pyrrol-3-ylmethyl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCc1cc[nH]c1
InChIInChI=1S/C11H19N3O/c1-8(2)5-10(12)11(15)14-7-9-3-4-13-6-9/h3-4,6,8,10,13H,5,7,12H2,1-2H3,(H,14,15)/t10-/m0/s1
InChIKeyWLDUBQWOBNEBTK-JTQLQIEISA-N
MW209.29 g/mol
LogP1.00
Rot. Bonds5

About (2S)-2-amino-4-methyl-N-(1H-pyrrol-3-ylmethyl)pentanamide

(2S)-2-amino-4-methyl-N-(1H-pyrrol-3-ylmethyl)pentanamide (PubChem CID 106384795) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-(1H-pyrrol-3-ylmethyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-(1H-pyrrol-3-ylmethyl)pentanamide
PubChem CID106384795
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name(2S)-2-amino-4-methyl-N-(1H-pyrrol-3-ylmethyl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCc1cc[nH]c1
InChIInChI=1S/C11H19N3O/c1-8(2)5-10(12)11(15)14-7-9-3-4-13-6-9/h3-4,6,8,10,13H,5,7,12H2,1-2H3,(H,14,15)/t10-/m0/s1
InChIKeyWLDUBQWOBNEBTK-JTQLQIEISA-N
XLogP1.00
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-methyl-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 106384810
(2S)-2-amino-3-phenyl-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106384850
2-amino-N-(1H-pyrrol-3-ylmethyl)pent-4-enamide
CID 106384829
(2S)-2-amino-3,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 106384847
2-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 43107780
2-amino-N-[(4-bromophenyl)methyl]-4-methylpentanamide
CID 60731482
2-ethyl-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 110782649
2-(aminomethyl)-4,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)pentanamide
CID 114181967
2-amino-3-(1H-indol-3-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106384838
(2R)-N-[(4-acetamidophenyl)methyl]-2-amino-4-methylpentanamide
CID 104903275
2-amino-4-methyl-N-(thiophen-3-ylmethyl)pentanamide
CID 63246547
(2S)-2-amino-N-[(4-tert-butylphenyl)methyl]-4-methylpentanamide;hydrochloride
CID 119707445

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-(1H-pyrrol-3-ylmethyl)pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-(1H-pyrrol-3-ylmethyl)pentanamide (CID 106384795) is (2S)-2-amino-4-methyl-N-(1H-pyrrol-3-ylmethyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-(1H-pyrrol-3-ylmethyl)pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-(1H-pyrrol-3-ylmethyl)pentanamide is CC(C)C[C@H](N)C(=O)NCc1cc[nH]c1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-(1H-pyrrol-3-ylmethyl)pentanamide?
The InChIKey is WLDUBQWOBNEBTK-JTQLQIEISA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(2)5-10(12)11(15)14-7-9-3-4-13-6-9/h3-4,6,8,10,13H,5,7,12H2,1-2H3,(H,14,15)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-(1H-pyrrol-3-ylmethyl)pentanamide?
(2S)-2-amino-4-methyl-N-(1H-pyrrol-3-ylmethyl)pentanamide has a molecular weight of 209.29 g/mol, XLogP of 1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-(1H-pyrrol-3-ylmethyl)pentanamide is sourced from PubChem (CID 106384795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).