(2,5-dihydroxypyrrol-1-yl) (2S,3S)-2-amino-3-methylpentanoate

C10H16N2O4 — CID 54261889

IUPAC(2,5-dihydroxypyrrol-1-yl) (2S,3S)-2-amino-3-methylpentanoate
SMILESCC[C@H](C)[C@H](N)C(=O)On1c(O)ccc1O
InChIInChI=1S/C10H16N2O4/c1-3-6(2)9(11)10(15)16-12-7(13)4-5-8(12)14/h4-6,9,13-14H,3,11H2,1-2H3/t6-,9-/m0/s1
InChIKeyRECHDSMCTPHGPN-RCOVLWMOSA-N
MW228.25 g/mol
LogP0.23
Rot. Bonds4

About (2,5-dihydroxypyrrol-1-yl) (2S,3S)-2-amino-3-methylpentanoate

(2,5-dihydroxypyrrol-1-yl) (2S,3S)-2-amino-3-methylpentanoate (PubChem CID 54261889) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) (2S,3S)-2-amino-3-methylpentanoate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) (2S,3S)-2-amino-3-methylpentanoate
PubChem CID54261889
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name(2,5-dihydroxypyrrol-1-yl) (2S,3S)-2-amino-3-methylpentanoate
SMILESCC[C@H](C)[C@H](N)C(=O)On1c(O)ccc1O
InChIInChI=1S/C10H16N2O4/c1-3-6(2)9(11)10(15)16-12-7(13)4-5-8(12)14/h4-6,9,13-14H,3,11H2,1-2H3/t6-,9-/m0/s1
InChIKeyRECHDSMCTPHGPN-RCOVLWMOSA-N
XLogP0.23
TPSA97.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-6-amino-2-(2,5-dihydroxypyrrol-1-yl)hexanoic acid
CID 53646830
(2,5-Dihydroxypyrrol-1-yl) hexanoate
CID 53776568
(2,5-dihydroxypyrrol-1-yl) (2S)-2,6-diaminohexanoate
CID 53858988
(2S)-5-amino-2-(2,5-dihydroxypyrrol-1-yl)pentanoic acid
CID 54113363
bis(2,5-dihydroxypyrrol-1-yl) (2S)-2-aminopentanedioate
CID 54170576
[4-(2,5-Dihydroxypyrrol-1-yl)oxy-4-oxobutyl]-trimethylazanium
CID 90703472
(2,5-Dihydroxypyrrol-1-yl) 3-methylbutanoate
CID 91597943
(2,5-dihydroxypyrrol-1-yl) (2S)-6-amino-2-[(2,2,2-trifluoroacetyl)amino]hexanoate
CID 123560838
(2,5-Dihydroxypyrrol-1-yl) 6-(6-deuteriohexan-2-ylamino)-6-oxohexanoate
CID 91158670
(2,5-Dihydroxypyrrol-1-yl) 6-formamidohexanoate
CID 53633447
(2S)-2-amino-4-(2,5-dihydroxypyrrol-1-yl)oxy-4-oxobutanoic acid
CID 53665213
1-O-butyl 3-O-(2,5-dihydroxypyrrol-1-yl) 2-(4-aminobutyl)propanedioate
CID 53689682

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) (2S,3S)-2-amino-3-methylpentanoate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) (2S,3S)-2-amino-3-methylpentanoate (CID 54261889) is (2,5-dihydroxypyrrol-1-yl) (2S,3S)-2-amino-3-methylpentanoate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) (2S,3S)-2-amino-3-methylpentanoate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) (2S,3S)-2-amino-3-methylpentanoate is CC[C@H](C)[C@H](N)C(=O)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) (2S,3S)-2-amino-3-methylpentanoate?
The InChIKey is RECHDSMCTPHGPN-RCOVLWMOSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-3-6(2)9(11)10(15)16-12-7(13)4-5-8(12)14/h4-6,9,13-14H,3,11H2,1-2H3/t6-,9-/m0/s1.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) (2S,3S)-2-amino-3-methylpentanoate?
(2,5-dihydroxypyrrol-1-yl) (2S,3S)-2-amino-3-methylpentanoate has a molecular weight of 228.25 g/mol, XLogP of 0.23, 4 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) (2S,3S)-2-amino-3-methylpentanoate is sourced from PubChem (CID 54261889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).