2-amino-3-hydroxy-N-pyrrol-1-ylpropanamide

C7H11N3O2 — CID 19973157

IUPAC2-amino-3-hydroxy-N-pyrrol-1-ylpropanamide
SMILESNC(CO)C(=O)Nn1cccc1
InChIInChI=1S/C7H11N3O2/c8-6(5-11)7(12)9-10-3-1-2-4-10/h1-4,6,11H,5,8H2,(H,9,12)
InChIKeyVTXGHDZOOMNYQK-UHFFFAOYSA-N
MW169.18 g/mol
LogP-1.12
Rot. Bonds3

About 2-amino-3-hydroxy-N-pyrrol-1-ylpropanamide

2-amino-3-hydroxy-N-pyrrol-1-ylpropanamide (PubChem CID 19973157) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-amino-3-hydroxy-N-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name2-amino-3-hydroxy-N-pyrrol-1-ylpropanamide
PubChem CID19973157
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name2-amino-3-hydroxy-N-pyrrol-1-ylpropanamide
SMILESNC(CO)C(=O)Nn1cccc1
InChIInChI=1S/C7H11N3O2/c8-6(5-11)7(12)9-10-3-1-2-4-10/h1-4,6,11H,5,8H2,(H,9,12)
InChIKeyVTXGHDZOOMNYQK-UHFFFAOYSA-N
XLogP-1.12
TPSA80.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-N-pyrrol-1-ylpropanamide?
The IUPAC name of 2-amino-3-hydroxy-N-pyrrol-1-ylpropanamide (CID 19973157) is 2-amino-3-hydroxy-N-pyrrol-1-ylpropanamide.
What is the SMILES notation for 2-amino-3-hydroxy-N-pyrrol-1-ylpropanamide?
The canonical SMILES for 2-amino-3-hydroxy-N-pyrrol-1-ylpropanamide is NC(CO)C(=O)Nn1cccc1.
What is the InChIKey of 2-amino-3-hydroxy-N-pyrrol-1-ylpropanamide?
The InChIKey is VTXGHDZOOMNYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c8-6(5-11)7(12)9-10-3-1-2-4-10/h1-4,6,11H,5,8H2,(H,9,12).
What are the key properties of 2-amino-3-hydroxy-N-pyrrol-1-ylpropanamide?
2-amino-3-hydroxy-N-pyrrol-1-ylpropanamide has a molecular weight of 169.18 g/mol, XLogP of -1.12, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-N-pyrrol-1-ylpropanamide is sourced from PubChem (CID 19973157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).