(2S)-5-amino-2-(2,5-dihydroxypyrrol-1-yl)pentanoic acid

C9H14N2O4 — CID 54113363

IUPAC(2S)-5-amino-2-(2,5-dihydroxypyrrol-1-yl)pentanoic acid
SMILESNCCC[C@@H](C(=O)O)n1c(O)ccc1O
InChIInChI=1S/C9H14N2O4/c10-5-1-2-6(9(14)15)11-7(12)3-4-8(11)13/h3-4,6,12-13H,1-2,5,10H2,(H,14,15)/t6-/m0/s1
InChIKeyNIQJOGKIIAEILJ-LURJTMIESA-N
MW214.22 g/mol
LogP0.26
Rot. Bonds5

About (2S)-5-amino-2-(2,5-dihydroxypyrrol-1-yl)pentanoic acid

(2S)-5-amino-2-(2,5-dihydroxypyrrol-1-yl)pentanoic acid (PubChem CID 54113363) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is (2S)-5-amino-2-(2,5-dihydroxypyrrol-1-yl)pentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-(2,5-dihydroxypyrrol-1-yl)pentanoic acid
PubChem CID54113363
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name(2S)-5-amino-2-(2,5-dihydroxypyrrol-1-yl)pentanoic acid
SMILESNCCC[C@@H](C(=O)O)n1c(O)ccc1O
InChIInChI=1S/C9H14N2O4/c10-5-1-2-6(9(14)15)11-7(12)3-4-8(11)13/h3-4,6,12-13H,1-2,5,10H2,(H,14,15)/t6-/m0/s1
InChIKeyNIQJOGKIIAEILJ-LURJTMIESA-N
XLogP0.26
TPSA108.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-6-amino-2-(2,5-dihydroxypyrrol-1-yl)hexanoic acid
CID 53646830
(2,5-dihydroxypyrrol-1-yl) (2S)-2,6-diaminohexanoate
CID 53858988
(2R)-2-(2,5-dihydroxypyrrol-1-yl)-3-sulfanylpropanoic acid
CID 54030153
2-(2,5-Dihydroxypyrrol-1-yl)butanedioic acid
CID 54377837
(2S)-2-(2,5-dihydroxypyrrol-1-yl)pentanedioic acid
CID 90753351
(2S)-5-(diaminomethylideneamino)-2-(2,5-dihydroxypyrrol-1-yl)pentanoic acid
CID 123914070
(2,5-dihydroxypyrrol-1-yl) (2S)-6-amino-2-[(2,2,2-trifluoroacetyl)amino]hexanoate
CID 123560838
1-(2,5-Dihydroxypyrrol-1-yl)hexane-2,5-dione
CID 53664471
(2S)-2-amino-4-(2,5-dihydroxypyrrol-1-yl)oxy-4-oxobutanoic acid
CID 53665213
2-(2,5-Dihydroxypyrrol-1-yl)acetic acid
CID 53683313
(2,5-dihydroxypyrrol-1-yl) (2S)-2-acetamido-4-methylpentanoate
CID 53696439
5-(2,5-Dihydroxypyrrol-1-yl)-2-methylidenepentanoic acid
CID 53706268

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-(2,5-dihydroxypyrrol-1-yl)pentanoic acid?
The IUPAC name of (2S)-5-amino-2-(2,5-dihydroxypyrrol-1-yl)pentanoic acid (CID 54113363) is (2S)-5-amino-2-(2,5-dihydroxypyrrol-1-yl)pentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-(2,5-dihydroxypyrrol-1-yl)pentanoic acid?
The canonical SMILES for (2S)-5-amino-2-(2,5-dihydroxypyrrol-1-yl)pentanoic acid is NCCC[C@@H](C(=O)O)n1c(O)ccc1O.
What is the InChIKey of (2S)-5-amino-2-(2,5-dihydroxypyrrol-1-yl)pentanoic acid?
The InChIKey is NIQJOGKIIAEILJ-LURJTMIESA-N. The full InChI is InChI=1S/C9H14N2O4/c10-5-1-2-6(9(14)15)11-7(12)3-4-8(11)13/h3-4,6,12-13H,1-2,5,10H2,(H,14,15)/t6-/m0/s1.
What are the key properties of (2S)-5-amino-2-(2,5-dihydroxypyrrol-1-yl)pentanoic acid?
(2S)-5-amino-2-(2,5-dihydroxypyrrol-1-yl)pentanoic acid has a molecular weight of 214.22 g/mol, XLogP of 0.26, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-(2,5-dihydroxypyrrol-1-yl)pentanoic acid is sourced from PubChem (CID 54113363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).