2-amino-N-[2,5-dihydroxy-1-[2-(hydroxyamino)-2-oxoethyl]pyrrol-3-yl]-3-phenylpropanamide

C15H18N4O5 — CID 123273604

IUPAC2-amino-N-[2,5-dihydroxy-1-[2-(hydroxyamino)-2-oxoethyl]pyrrol-3-yl]-3-phenylpropanamide
SMILESNC(Cc1ccccc1)C(=O)Nc1cc(O)n(CC(=O)NO)c1O
InChIInChI=1S/C15H18N4O5/c16-10(6-9-4-2-1-3-5-9)14(22)17-11-7-13(21)19(15(11)23)8-12(20)18-24/h1-5,7,10,21,23-24H,6,8,16H2,(H,17,22)(H,18,20)
InChIKeyNRJVFBOCBOLFBB-UHFFFAOYSA-N
MW334.33 g/mol
LogP-0.09
Rot. Bonds6

About 2-amino-N-[2,5-dihydroxy-1-[2-(hydroxyamino)-2-oxoethyl]pyrrol-3-yl]-3-phenylpropanamide

2-amino-N-[2,5-dihydroxy-1-[2-(hydroxyamino)-2-oxoethyl]pyrrol-3-yl]-3-phenylpropanamide (PubChem CID 123273604) has the molecular formula C15H18N4O5 and a molecular weight of 334.33 g/mol. Its IUPAC name is 2-amino-N-[2,5-dihydroxy-1-[2-(hydroxyamino)-2-oxoethyl]pyrrol-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[2,5-dihydroxy-1-[2-(hydroxyamino)-2-oxoethyl]pyrrol-3-yl]-3-phenylpropanamide
PubChem CID123273604
Molecular FormulaC15H18N4O5
Molecular Weight334.33 g/mol
Exact Mass334.13
IUPAC Name2-amino-N-[2,5-dihydroxy-1-[2-(hydroxyamino)-2-oxoethyl]pyrrol-3-yl]-3-phenylpropanamide
SMILESNC(Cc1ccccc1)C(=O)Nc1cc(O)n(CC(=O)NO)c1O
InChIInChI=1S/C15H18N4O5/c16-10(6-9-4-2-1-3-5-9)14(22)17-11-7-13(21)19(15(11)23)8-12(20)18-24/h1-5,7,10,21,23-24H,6,8,16H2,(H,17,22)(H,18,20)
InChIKeyNRJVFBOCBOLFBB-UHFFFAOYSA-N
XLogP-0.09
TPSA149.84 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.33
LogP ≤ 5-0.09
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2,5-dihydroxy-1-[2-(hydroxyamino)-2-oxoethyl]pyrrol-3-yl]-3-phenylpropanamide?
The IUPAC name of 2-amino-N-[2,5-dihydroxy-1-[2-(hydroxyamino)-2-oxoethyl]pyrrol-3-yl]-3-phenylpropanamide (CID 123273604) is 2-amino-N-[2,5-dihydroxy-1-[2-(hydroxyamino)-2-oxoethyl]pyrrol-3-yl]-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[2,5-dihydroxy-1-[2-(hydroxyamino)-2-oxoethyl]pyrrol-3-yl]-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-[2,5-dihydroxy-1-[2-(hydroxyamino)-2-oxoethyl]pyrrol-3-yl]-3-phenylpropanamide is NC(Cc1ccccc1)C(=O)Nc1cc(O)n(CC(=O)NO)c1O.
What is the InChIKey of 2-amino-N-[2,5-dihydroxy-1-[2-(hydroxyamino)-2-oxoethyl]pyrrol-3-yl]-3-phenylpropanamide?
The InChIKey is NRJVFBOCBOLFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O5/c16-10(6-9-4-2-1-3-5-9)14(22)17-11-7-13(21)19(15(11)23)8-12(20)18-24/h1-5,7,10,21,23-24H,6,8,16H2,(H,17,22)(H,18,20).
What are the key properties of 2-amino-N-[2,5-dihydroxy-1-[2-(hydroxyamino)-2-oxoethyl]pyrrol-3-yl]-3-phenylpropanamide?
2-amino-N-[2,5-dihydroxy-1-[2-(hydroxyamino)-2-oxoethyl]pyrrol-3-yl]-3-phenylpropanamide has a molecular weight of 334.33 g/mol, XLogP of -0.09, 6 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2,5-dihydroxy-1-[2-(hydroxyamino)-2-oxoethyl]pyrrol-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 123273604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).