N-(2-aminoethyl)-3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanamide

C9H15N3O3 — CID 135140781

IUPACN-(2-aminoethyl)-3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanamide
SMILESNCCNC(=O)CCN1C(=O)C=CC1O
InChIInChI=1S/C9H15N3O3/c10-4-5-11-7(13)3-6-12-8(14)1-2-9(12)15/h1-2,8,14H,3-6,10H2,(H,11,13)
InChIKeyIRSRBUCUTCPUQO-UHFFFAOYSA-N
MW213.24 g/mol
LogP-1.83
Rot. Bonds5

About N-(2-aminoethyl)-3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanamide

N-(2-aminoethyl)-3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanamide (PubChem CID 135140781) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanamide
PubChem CID135140781
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC NameN-(2-aminoethyl)-3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanamide
SMILESNCCNC(=O)CCN1C(=O)C=CC1O
InChIInChI=1S/C9H15N3O3/c10-4-5-11-7(13)3-6-12-8(14)1-2-9(12)15/h1-2,8,14H,3-6,10H2,(H,11,13)
InChIKeyIRSRBUCUTCPUQO-UHFFFAOYSA-N
XLogP-1.83
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-1.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanamide?
The IUPAC name of N-(2-aminoethyl)-3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanamide (CID 135140781) is N-(2-aminoethyl)-3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanamide.
What is the SMILES notation for N-(2-aminoethyl)-3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanamide?
The canonical SMILES for N-(2-aminoethyl)-3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanamide is NCCNC(=O)CCN1C(=O)C=CC1O.
What is the InChIKey of N-(2-aminoethyl)-3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanamide?
The InChIKey is IRSRBUCUTCPUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c10-4-5-11-7(13)3-6-12-8(14)1-2-9(12)15/h1-2,8,14H,3-6,10H2,(H,11,13).
What are the key properties of N-(2-aminoethyl)-3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanamide?
N-(2-aminoethyl)-3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanamide has a molecular weight of 213.24 g/mol, XLogP of -1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanamide is sourced from PubChem (CID 135140781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).