(5S)-5-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxolan-4-one

C11H15NO5 — CID 90685201

IUPAC(5S)-5-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxolan-4-one
SMILESCC1(C)OC(=O)[C@H](CCn2c(O)ccc2O)O1
InChIInChI=1S/C11H15NO5/c1-11(2)16-7(10(15)17-11)5-6-12-8(13)3-4-9(12)14/h3-4,7,13-14H,5-6H2,1-2H3/t7-/m0/s1
InChIKeyMUNLVDYYKATBQN-ZETCQYMHSA-N
MW241.24 g/mol
LogP0.97
Rot. Bonds3

About (5S)-5-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxolan-4-one

(5S)-5-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxolan-4-one (PubChem CID 90685201) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is (5S)-5-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxolan-4-one.

Molecular Properties

Compound Name(5S)-5-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxolan-4-one
PubChem CID90685201
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name(5S)-5-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxolan-4-one
SMILESCC1(C)OC(=O)[C@H](CCn2c(O)ccc2O)O1
InChIInChI=1S/C11H15NO5/c1-11(2)16-7(10(15)17-11)5-6-12-8(13)3-4-9(12)14/h3-4,7,13-14H,5-6H2,1-2H3/t7-/m0/s1
InChIKeyMUNLVDYYKATBQN-ZETCQYMHSA-N
XLogP0.97
TPSA80.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (5S)-5-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxolan-4-one 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-Acetyloxy-2-(2,5-dihydroxypyrrol-1-yl)acetic acid
CID 53657203
(2,5-Dihydroxypyrrol-1-yl) 2-methoxypropanoate
CID 53828897
4-(2,5-Dihydroxypyrrol-1-yl)butanoic acid
CID 53867299
[(2S)-2-(2,5-dihydroxypyrrol-1-yl)oxolan-3-yl] hydrogen carbonate
CID 53976419
[(3S)-2-(2,5-dihydroxypyrrol-1-yl)oxolan-3-yl] hydrogen carbonate
CID 53976420
3-(2,5-Dihydroxypyrrol-1-yl)-2-methoxypropanoic acid
CID 54096059
2-(2,5-Dihydroxypyrrol-1-yl)ethyl 3-oxobutanoate
CID 54243762
4-(2,5-Dihydroxypyrrol-1-yl)butaneperoxoic acid
CID 54435565
4-(2,5-Dihydroxypyrrol-1-yl)-2-hydroxybutanoic acid
CID 90755823
2-[(3S)-3-carboxy-3-(2,5-dihydroxypyrrol-1-yl)propoxy]butanedioic acid
CID 90846201
Methyl 3-(2,5-dihydroxypyrrol-1-yl)propanoate
CID 90878039
2-(2,5-Dihydroxypyrrol-1-yl)oxycarbonyloxyethyl butanoate
CID 90892932

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxolan-4-one?
The IUPAC name of (5S)-5-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxolan-4-one (CID 90685201) is (5S)-5-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxolan-4-one.
What is the SMILES notation for (5S)-5-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxolan-4-one?
The canonical SMILES for (5S)-5-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxolan-4-one is CC1(C)OC(=O)[C@H](CCn2c(O)ccc2O)O1.
What is the InChIKey of (5S)-5-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxolan-4-one?
The InChIKey is MUNLVDYYKATBQN-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H15NO5/c1-11(2)16-7(10(15)17-11)5-6-12-8(13)3-4-9(12)14/h3-4,7,13-14H,5-6H2,1-2H3/t7-/m0/s1.
What are the key properties of (5S)-5-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxolan-4-one?
(5S)-5-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxolan-4-one has a molecular weight of 241.24 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxolan-4-one is sourced from PubChem (CID 90685201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).