(2S)-2-amino-3-hydroxypropanoic acid;1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione

C9H11N3O5 — CID 173032765

IUPAC(2S)-2-amino-3-hydroxypropanoic acid;1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione
SMILESN[C@@H](CO)C(=O)O.O=C1Nc2cc[nH]c2C1=O
InChIInChI=1S/C6H4N2O2.C3H7NO3/c9-5-4-3(1-2-7-4)8-6(5)10;4-2(1-5)3(6)7/h1-2,7H,(H,8,9,10);2,5H,1,4H2,(H,6,7)/t;2-/m.0/s1
InChIKeyOPEKAPIWYANVSN-WNQIDUERSA-N
MW241.20 g/mol
LogP-1.46
Rot. Bonds2

About (2S)-2-amino-3-hydroxypropanoic acid;1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione

(2S)-2-amino-3-hydroxypropanoic acid;1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione (PubChem CID 173032765) has the molecular formula C9H11N3O5 and a molecular weight of 241.20 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxypropanoic acid;1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione.

Molecular Properties

Compound Name(2S)-2-amino-3-hydroxypropanoic acid;1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione
PubChem CID173032765
Molecular FormulaC9H11N3O5
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Name(2S)-2-amino-3-hydroxypropanoic acid;1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione
SMILESN[C@@H](CO)C(=O)O.O=C1Nc2cc[nH]c2C1=O
InChIInChI=1S/C6H4N2O2.C3H7NO3/c9-5-4-3(1-2-7-4)8-6(5)10;4-2(1-5)3(6)7/h1-2,7H,(H,8,9,10);2,5H,1,4H2,(H,6,7)/t;2-/m.0/s1
InChIKeyOPEKAPIWYANVSN-WNQIDUERSA-N
XLogP-1.46
TPSA145.51 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 5-1.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-3-hydroxypropanoic acid;pyrrole-2,5-dione
CID 160632774
(2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid
CID 71309922
2-amino-3-hydroxypropanoic acid;fluorobenzene
CID 175128385
CID 157089134
CID 157089134
(2S)-2-amino-3-(2,3-dioxo-1H-indol-5-yl)propanoic acid
CID 11651578
2-amino-3-hydroxypropanoic acid;oxalic acid
CID 174377676
2-amino-3-hydroxypropanoic acid;urea
CID 90283765
2-amino-3-hydroxypropanoic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene
CID 70461893
octakis(2-aminoacetic acid);bis((2S)-2-amino-3-hydroxypropanoic acid)
CID 157446719
(2S)-2-aminopropanoic acid;1H-indole-2,3-dione
CID 18646190
2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-hydroxypropanoic acid
CID 22500201
(2S)-2-amino-3-hydroxypropanoic acid;2-hydroxybenzoic acid
CID 157145146

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxypropanoic acid;1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione?
The IUPAC name of (2S)-2-amino-3-hydroxypropanoic acid;1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione (CID 173032765) is (2S)-2-amino-3-hydroxypropanoic acid;1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione.
What is the SMILES notation for (2S)-2-amino-3-hydroxypropanoic acid;1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione?
The canonical SMILES for (2S)-2-amino-3-hydroxypropanoic acid;1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione is N[C@@H](CO)C(=O)O.O=C1Nc2cc[nH]c2C1=O.
What is the InChIKey of (2S)-2-amino-3-hydroxypropanoic acid;1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione?
The InChIKey is OPEKAPIWYANVSN-WNQIDUERSA-N. The full InChI is InChI=1S/C6H4N2O2.C3H7NO3/c9-5-4-3(1-2-7-4)8-6(5)10;4-2(1-5)3(6)7/h1-2,7H,(H,8,9,10);2,5H,1,4H2,(H,6,7)/t;2-/m.0/s1.
What are the key properties of (2S)-2-amino-3-hydroxypropanoic acid;1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione?
(2S)-2-amino-3-hydroxypropanoic acid;1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione has a molecular weight of 241.20 g/mol, XLogP of -1.46, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-hydroxypropanoic acid;1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione is sourced from PubChem (CID 173032765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).