(2S)-5-amino-1-(2,5-dihydroxypyrrol-1-yl)-2-hydroxypentan-1-one

C9H14N2O4 — CID 56617877

IUPAC(2S)-5-amino-1-(2,5-dihydroxypyrrol-1-yl)-2-hydroxypentan-1-one
SMILESNCCC[C@H](O)C(=O)n1c(O)ccc1O
InChIInChI=1S/C9H14N2O4/c10-5-1-2-6(12)9(15)11-7(13)3-4-8(11)14/h3-4,6,12-14H,1-2,5,10H2/t6-/m0/s1
InChIKeyQAYRNNPETYNGPG-LURJTMIESA-N
MW214.22 g/mol
LogP-0.36
Rot. Bonds4

About (2S)-5-amino-1-(2,5-dihydroxypyrrol-1-yl)-2-hydroxypentan-1-one

(2S)-5-amino-1-(2,5-dihydroxypyrrol-1-yl)-2-hydroxypentan-1-one (PubChem CID 56617877) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is (2S)-5-amino-1-(2,5-dihydroxypyrrol-1-yl)-2-hydroxypentan-1-one.

Molecular Properties

Compound Name(2S)-5-amino-1-(2,5-dihydroxypyrrol-1-yl)-2-hydroxypentan-1-one
PubChem CID56617877
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name(2S)-5-amino-1-(2,5-dihydroxypyrrol-1-yl)-2-hydroxypentan-1-one
SMILESNCCC[C@H](O)C(=O)n1c(O)ccc1O
InChIInChI=1S/C9H14N2O4/c10-5-1-2-6(12)9(15)11-7(13)3-4-8(11)14/h3-4,6,12-14H,1-2,5,10H2/t6-/m0/s1
InChIKeyQAYRNNPETYNGPG-LURJTMIESA-N
XLogP-0.36
TPSA108.71 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,5-Dihydroxypyrrol-1-yl)-4-oxobutanamide
CID 53947553
6-(2,5-Dihydroxypyrrol-1-yl)hexanamide
CID 54034188
1-(2,5-Dihydroxypyrrol-1-yl)-2-hydroxybutan-1-one
CID 90842444
5-(2,5-dihydroxypyrrol-1-yl)-N-(3-methoxypropyl)-5-oxopentanamide
CID 91018453
2-[6-(2,5-Dihydroxypyrrol-1-yl)hexanoylamino]acetic acid
CID 123705922
5-(2,5-dihydroxypyrrol-1-yl)-N-(2-oxoethyl)pentanamide
CID 123936597

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-1-(2,5-dihydroxypyrrol-1-yl)-2-hydroxypentan-1-one?
The IUPAC name of (2S)-5-amino-1-(2,5-dihydroxypyrrol-1-yl)-2-hydroxypentan-1-one (CID 56617877) is (2S)-5-amino-1-(2,5-dihydroxypyrrol-1-yl)-2-hydroxypentan-1-one.
What is the SMILES notation for (2S)-5-amino-1-(2,5-dihydroxypyrrol-1-yl)-2-hydroxypentan-1-one?
The canonical SMILES for (2S)-5-amino-1-(2,5-dihydroxypyrrol-1-yl)-2-hydroxypentan-1-one is NCCC[C@H](O)C(=O)n1c(O)ccc1O.
What is the InChIKey of (2S)-5-amino-1-(2,5-dihydroxypyrrol-1-yl)-2-hydroxypentan-1-one?
The InChIKey is QAYRNNPETYNGPG-LURJTMIESA-N. The full InChI is InChI=1S/C9H14N2O4/c10-5-1-2-6(12)9(15)11-7(13)3-4-8(11)14/h3-4,6,12-14H,1-2,5,10H2/t6-/m0/s1.
What are the key properties of (2S)-5-amino-1-(2,5-dihydroxypyrrol-1-yl)-2-hydroxypentan-1-one?
(2S)-5-amino-1-(2,5-dihydroxypyrrol-1-yl)-2-hydroxypentan-1-one has a molecular weight of 214.22 g/mol, XLogP of -0.36, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-1-(2,5-dihydroxypyrrol-1-yl)-2-hydroxypentan-1-one is sourced from PubChem (CID 56617877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).