N-[2-(aminomethoxyamino)ethyl]-3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanamide

C10H18N4O4 — CID 58932769

IUPACN-[2-(aminomethoxyamino)ethyl]-3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanamide
SMILESNCONCCNC(=O)CCN1C(=O)C=CC1O
InChIInChI=1S/C10H18N4O4/c11-7-18-13-5-4-12-8(15)3-6-14-9(16)1-2-10(14)17/h1-2,9,13,16H,3-7,11H2,(H,12,15)
InChIKeyHDLZHOHUIHISLH-UHFFFAOYSA-N
MW258.28 g/mol
LogP-2.35
Rot. Bonds8

About N-[2-(aminomethoxyamino)ethyl]-3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanamide

N-[2-(aminomethoxyamino)ethyl]-3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanamide (PubChem CID 58932769) has the molecular formula C10H18N4O4 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-[2-(aminomethoxyamino)ethyl]-3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(aminomethoxyamino)ethyl]-3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanamide
PubChem CID58932769
Molecular FormulaC10H18N4O4
Molecular Weight258.28 g/mol
Exact Mass258.13
IUPAC NameN-[2-(aminomethoxyamino)ethyl]-3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanamide
SMILESNCONCCNC(=O)CCN1C(=O)C=CC1O
InChIInChI=1S/C10H18N4O4/c11-7-18-13-5-4-12-8(15)3-6-14-9(16)1-2-10(14)17/h1-2,9,13,16H,3-7,11H2,(H,12,15)
InChIKeyHDLZHOHUIHISLH-UHFFFAOYSA-N
XLogP-2.35
TPSA116.92 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 5-2.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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 N-[2-(aminomethoxyamino)ethyl]-3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanamide?
The IUPAC name of N-[2-(aminomethoxyamino)ethyl]-3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanamide (CID 58932769) is N-[2-(aminomethoxyamino)ethyl]-3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanamide.
What is the SMILES notation for N-[2-(aminomethoxyamino)ethyl]-3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanamide?
The canonical SMILES for N-[2-(aminomethoxyamino)ethyl]-3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanamide is NCONCCNC(=O)CCN1C(=O)C=CC1O.
What is the InChIKey of N-[2-(aminomethoxyamino)ethyl]-3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanamide?
The InChIKey is HDLZHOHUIHISLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O4/c11-7-18-13-5-4-12-8(15)3-6-14-9(16)1-2-10(14)17/h1-2,9,13,16H,3-7,11H2,(H,12,15).
What are the key properties of N-[2-(aminomethoxyamino)ethyl]-3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanamide?
N-[2-(aminomethoxyamino)ethyl]-3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanamide has a molecular weight of 258.28 g/mol, XLogP of -2.35, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethoxyamino)ethyl]-3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanamide is sourced from PubChem (CID 58932769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).