(2R)-2-amino-2-(3,5-dimethyl-1H-pyrrol-2-yl)propanoic acid

C9H14N2O2 — CID 55292773

IUPAC(2R)-2-amino-2-(3,5-dimethyl-1H-pyrrol-2-yl)propanoic acid
SMILESCc1cc(C)c([C@@](C)(N)C(=O)O)[nH]1
InChIInChI=1S/C9H14N2O2/c1-5-4-6(2)11-7(5)9(3,10)8(12)13/h4,11H,10H2,1-3H3,(H,12,13)/t9-/m1/s1
InChIKeyAEIJKXNXMNQYBY-SECBINFHSA-N
MW182.22 g/mol
LogP0.89
Rot. Bonds2

About (2R)-2-amino-2-(3,5-dimethyl-1H-pyrrol-2-yl)propanoic acid

(2R)-2-amino-2-(3,5-dimethyl-1H-pyrrol-2-yl)propanoic acid (PubChem CID 55292773) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is (2R)-2-amino-2-(3,5-dimethyl-1H-pyrrol-2-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(3,5-dimethyl-1H-pyrrol-2-yl)propanoic acid
PubChem CID55292773
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name(2R)-2-amino-2-(3,5-dimethyl-1H-pyrrol-2-yl)propanoic acid
SMILESCc1cc(C)c([C@@](C)(N)C(=O)O)[nH]1
InChIInChI=1S/C9H14N2O2/c1-5-4-6(2)11-7(5)9(3,10)8(12)13/h4,11H,10H2,1-3H3,(H,12,13)/t9-/m1/s1
InChIKeyAEIJKXNXMNQYBY-SECBINFHSA-N
XLogP0.89
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(3,5-dimethyl-1H-pyrrol-2-yl)propanoic acid?
The IUPAC name of (2R)-2-amino-2-(3,5-dimethyl-1H-pyrrol-2-yl)propanoic acid (CID 55292773) is (2R)-2-amino-2-(3,5-dimethyl-1H-pyrrol-2-yl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-2-(3,5-dimethyl-1H-pyrrol-2-yl)propanoic acid?
The canonical SMILES for (2R)-2-amino-2-(3,5-dimethyl-1H-pyrrol-2-yl)propanoic acid is Cc1cc(C)c([C@@](C)(N)C(=O)O)[nH]1.
What is the InChIKey of (2R)-2-amino-2-(3,5-dimethyl-1H-pyrrol-2-yl)propanoic acid?
The InChIKey is AEIJKXNXMNQYBY-SECBINFHSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-5-4-6(2)11-7(5)9(3,10)8(12)13/h4,11H,10H2,1-3H3,(H,12,13)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-2-(3,5-dimethyl-1H-pyrrol-2-yl)propanoic acid?
(2R)-2-amino-2-(3,5-dimethyl-1H-pyrrol-2-yl)propanoic acid has a molecular weight of 182.22 g/mol, XLogP of 0.89, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(3,5-dimethyl-1H-pyrrol-2-yl)propanoic acid is sourced from PubChem (CID 55292773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).