2-(3,4-dihydro-2H-pyrrol-5-ylamino)propane-1,3-diol

C7H14N2O2 — CID 79503345

IUPAC2-(3,4-dihydro-2H-pyrrol-5-ylamino)propane-1,3-diol
SMILESOCC(CO)NC1=NCCC1
InChIInChI=1S/C7H14N2O2/c10-4-6(5-11)9-7-2-1-3-8-7/h6,10-11H,1-5H2,(H,8,9)
InChIKeyOVDAGNYMUJTVLX-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.88
Rot. Bonds3

About 2-(3,4-dihydro-2H-pyrrol-5-ylamino)propane-1,3-diol

2-(3,4-dihydro-2H-pyrrol-5-ylamino)propane-1,3-diol (PubChem CID 79503345) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyrrol-5-ylamino)propane-1,3-diol.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyrrol-5-ylamino)propane-1,3-diol
PubChem CID79503345
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name2-(3,4-dihydro-2H-pyrrol-5-ylamino)propane-1,3-diol
SMILESOCC(CO)NC1=NCCC1
InChIInChI=1S/C7H14N2O2/c10-4-6(5-11)9-7-2-1-3-8-7/h6,10-11H,1-5H2,(H,8,9)
InChIKeyOVDAGNYMUJTVLX-UHFFFAOYSA-N
XLogP-0.88
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-pyrrol-5-ylamino)propane-1,3-diol?
The IUPAC name of 2-(3,4-dihydro-2H-pyrrol-5-ylamino)propane-1,3-diol (CID 79503345) is 2-(3,4-dihydro-2H-pyrrol-5-ylamino)propane-1,3-diol.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyrrol-5-ylamino)propane-1,3-diol?
The canonical SMILES for 2-(3,4-dihydro-2H-pyrrol-5-ylamino)propane-1,3-diol is OCC(CO)NC1=NCCC1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyrrol-5-ylamino)propane-1,3-diol?
The InChIKey is OVDAGNYMUJTVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c10-4-6(5-11)9-7-2-1-3-8-7/h6,10-11H,1-5H2,(H,8,9).
What are the key properties of 2-(3,4-dihydro-2H-pyrrol-5-ylamino)propane-1,3-diol?
2-(3,4-dihydro-2H-pyrrol-5-ylamino)propane-1,3-diol has a molecular weight of 158.20 g/mol, XLogP of -0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-pyrrol-5-ylamino)propane-1,3-diol is sourced from PubChem (CID 79503345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).