(2,5-dihydroxypyrrol-1-yl) 3-aminopropanoate

C7H10N2O4 — CID 54347379

IUPAC(2,5-dihydroxypyrrol-1-yl) 3-aminopropanoate
SMILESNCCC(=O)On1c(O)ccc1O
InChIInChI=1S/C7H10N2O4/c8-4-3-7(12)13-9-5(10)1-2-6(9)11/h1-2,10-11H,3-4,8H2
InChIKeyUDGAASWZGUMXNE-UHFFFAOYSA-N
MW186.17 g/mol
LogP-0.80
Rot. Bonds3

About (2,5-dihydroxypyrrol-1-yl) 3-aminopropanoate

(2,5-dihydroxypyrrol-1-yl) 3-aminopropanoate (PubChem CID 54347379) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 3-aminopropanoate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 3-aminopropanoate
PubChem CID54347379
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 3-aminopropanoate
SMILESNCCC(=O)On1c(O)ccc1O
InChIInChI=1S/C7H10N2O4/c8-4-3-7(12)13-9-5(10)1-2-6(9)11/h1-2,10-11H,3-4,8H2
InChIKeyUDGAASWZGUMXNE-UHFFFAOYSA-N
XLogP-0.80
TPSA97.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2,5-dihydroxypyrrol-1-yl) 3-aminopropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-Dihydroxypyrrol-1-yl) 2,2,2-trifluoroacetate
CID 54515596
(2,5-Dihydroxypyrrol-1-yl) acetate
CID 53633352
(2,5-Dihydroxypyrrol-1-yl) prop-2-enoate
CID 53643718
(2,5-Dihydroxypyrrol-1-yl) hydrogen carbonate
CID 53696361
(2,5-Dihydroxypyrrol-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate
CID 53720774
3-(2,5-Dihydroxypyrrol-1-yl)propanoic acid
CID 53739330
(2,5-Dihydroxypyrrol-1-yl) hexanoate
CID 53776568
Bis(2,5-dihydroxypyrrol-1-yl) carbonate
CID 53830932
(2,5-dihydroxypyrrol-1-yl) (2S)-2,6-diaminohexanoate
CID 53858988
(2,5-Dihydroxypyrrol-1-yl) propanoate
CID 53941700
Bis(2,5-dihydroxypyrrol-1-yl) butanedioate
CID 54004295
(2,5-Dihydroxypyrrol-1-yl) butanoate
CID 54133325

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 3-aminopropanoate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 3-aminopropanoate (CID 54347379) is (2,5-dihydroxypyrrol-1-yl) 3-aminopropanoate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 3-aminopropanoate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 3-aminopropanoate is NCCC(=O)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 3-aminopropanoate?
The InChIKey is UDGAASWZGUMXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4/c8-4-3-7(12)13-9-5(10)1-2-6(9)11/h1-2,10-11H,3-4,8H2.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 3-aminopropanoate?
(2,5-dihydroxypyrrol-1-yl) 3-aminopropanoate has a molecular weight of 186.17 g/mol, XLogP of -0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 3-aminopropanoate is sourced from PubChem (CID 54347379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).