(2S)-2-amino-3,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)butanamide

C11H19N3O — CID 106384847

IUPAC(2S)-2-amino-3,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)butanamide
SMILESCC(C)(C)[C@H](N)C(=O)NCc1cc[nH]c1
InChIInChI=1S/C11H19N3O/c1-11(2,3)9(12)10(15)14-7-8-4-5-13-6-8/h4-6,9,13H,7,12H2,1-3H3,(H,14,15)/t9-/m1/s1
InChIKeyCESZMWBQDXASRN-SECBINFHSA-N
MW209.29 g/mol
LogP1.00
Rot. Bonds3

About (2S)-2-amino-3,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)butanamide

(2S)-2-amino-3,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)butanamide (PubChem CID 106384847) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)butanamide
PubChem CID106384847
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)butanamide
SMILESCC(C)(C)[C@H](N)C(=O)NCc1cc[nH]c1
InChIInChI=1S/C11H19N3O/c1-11(2,3)9(12)10(15)14-7-8-4-5-13-6-8/h4-6,9,13H,7,12H2,1-3H3,(H,14,15)/t9-/m1/s1
InChIKeyCESZMWBQDXASRN-SECBINFHSA-N
XLogP1.00
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
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
2-(aminomethyl)-4,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)pentanamide
CID 114181967
(2S)-2-amino-4-methyl-N-(1H-pyrrol-3-ylmethyl)pentanamide
CID 106384795
3-amino-5,5-dimethyl-N-(1H-pyrrol-3-ylmethyl)hexanamide
CID 106384758
2-ethyl-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 110782649
2-amino-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 83530042
2-bromo-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106384571
(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
(2R)-2-amino-3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide
CID 106390787
(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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)butanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)butanamide (CID 106384847) is (2S)-2-amino-3,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)butanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)butanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)butanamide is CC(C)(C)[C@H](N)C(=O)NCc1cc[nH]c1.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)butanamide?
The InChIKey is CESZMWBQDXASRN-SECBINFHSA-N. The full InChI is InChI=1S/C11H19N3O/c1-11(2,3)9(12)10(15)14-7-8-4-5-13-6-8/h4-6,9,13H,7,12H2,1-3H3,(H,14,15)/t9-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)butanamide?
(2S)-2-amino-3,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)butanamide has a molecular weight of 209.29 g/mol, XLogP of 1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)butanamide is sourced from PubChem (CID 106384847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).