(2,5-dihydroxypyrrol-1-yl) 5-aminopentanoate

C9H14N2O4 — CID 91419311

IUPAC(2,5-dihydroxypyrrol-1-yl) 5-aminopentanoate
SMILESNCCCCC(=O)On1c(O)ccc1O
InChIInChI=1S/C9H14N2O4/c10-6-2-1-3-9(14)15-11-7(12)4-5-8(11)13/h4-5,12-13H,1-3,6,10H2
InChIKeyRPFGTBZVAOMLRP-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.02
Rot. Bonds5

About (2,5-dihydroxypyrrol-1-yl) 5-aminopentanoate

(2,5-dihydroxypyrrol-1-yl) 5-aminopentanoate (PubChem CID 91419311) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 5-aminopentanoate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 5-aminopentanoate
PubChem CID91419311
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 5-aminopentanoate
SMILESNCCCCC(=O)On1c(O)ccc1O
InChIInChI=1S/C9H14N2O4/c10-6-2-1-3-9(14)15-11-7(12)4-5-8(11)13/h4-5,12-13H,1-3,6,10H2
InChIKeyRPFGTBZVAOMLRP-UHFFFAOYSA-N
XLogP-0.02
TPSA97.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

bis(2,5-dihydroxypyrrol-1-yl) docosanedioate
CID 90829981
(2,5-dihydroxypyrrol-1-yl) 5-bromopentanoate
CID 91257177
7-O-(2,5-dihydroxypyrrol-1-yl) 1-O-ethyl heptanedioate
CID 123764437
5-(2,5-dihydroxypyrrol-1-yl)oxy-5-oxopentanoic acid
CID 54518514
(2,5-dihydroxypyrrol-1-yl) 11-methylsulfanylundecanoate
CID 90732127
16-(2,5-dihydroxypyrrol-1-yl)oxy-16-oxohexadecane-1-sulfonic acid
CID 123338833
1-O-tert-butyl 10-O-(2,5-dihydroxypyrrol-1-yl) decanedioate
CID 91216455
(2,5-dihydroxypyrrol-1-yl) oct-6-ynoate
CID 123686776
(2,5-dihydroxypyrrol-1-yl) 6-acetamidohexanoate
CID 91128975
(2,5-dihydroxypyrrol-1-yl) tetracos-15-enoate
CID 91123132
4-O-(2,5-dihydroxypyrrol-1-yl) 1-O-(2-methoxyethyl) butanedioate
CID 90907971
(2,5-dihydroxypyrrol-1-yl) 6-(1-ethoxyethylideneamino)oxyhexanoate
CID 91392417

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 5-aminopentanoate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 5-aminopentanoate (CID 91419311) is (2,5-dihydroxypyrrol-1-yl) 5-aminopentanoate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 5-aminopentanoate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 5-aminopentanoate is NCCCCC(=O)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 5-aminopentanoate?
The InChIKey is RPFGTBZVAOMLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c10-6-2-1-3-9(14)15-11-7(12)4-5-8(11)13/h4-5,12-13H,1-3,6,10H2.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 5-aminopentanoate?
(2,5-dihydroxypyrrol-1-yl) 5-aminopentanoate has a molecular weight of 214.22 g/mol, XLogP of -0.02, 5 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) 5-aminopentanoate is sourced from PubChem (CID 91419311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).