(2S)-2-amino-3-hydroxypropanoic acid;pyrrole-2,5-dione

C7H10N2O5 — CID 160632774

IUPAC(2S)-2-amino-3-hydroxypropanoic acid;pyrrole-2,5-dione
SMILESN[C@@H](CO)C(=O)O.O=C1C=CC(=O)N1
InChIInChI=1S/C4H3NO2.C3H7NO3/c6-3-1-2-4(7)5-3;4-2(1-5)3(6)7/h1-2H,(H,5,6,7);2,5H,1,4H2,(H,6,7)/t;2-/m.0/s1
InChIKeyRIDBYVJDEIKJPK-WNQIDUERSA-N
MW202.17 g/mol
LogP-2.41
Rot. Bonds2

About (2S)-2-amino-3-hydroxypropanoic acid;pyrrole-2,5-dione

(2S)-2-amino-3-hydroxypropanoic acid;pyrrole-2,5-dione (PubChem CID 160632774) has the molecular formula C7H10N2O5 and a molecular weight of 202.17 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxypropanoic acid;pyrrole-2,5-dione.

Molecular Properties

Compound Name(2S)-2-amino-3-hydroxypropanoic acid;pyrrole-2,5-dione
PubChem CID160632774
Molecular FormulaC7H10N2O5
Molecular Weight202.17 g/mol
Exact Mass202.06
IUPAC Name(2S)-2-amino-3-hydroxypropanoic acid;pyrrole-2,5-dione
SMILESN[C@@H](CO)C(=O)O.O=C1C=CC(=O)N1
InChIInChI=1S/C4H3NO2.C3H7NO3/c6-3-1-2-4(7)5-3;4-2(1-5)3(6)7/h1-2H,(H,5,6,7);2,5H,1,4H2,(H,6,7)/t;2-/m.0/s1
InChIKeyRIDBYVJDEIKJPK-WNQIDUERSA-N
XLogP-2.41
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 5-2.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-3-hydroxypropanoic acid;pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid
CID 71309922
2-amino-3-methylbutanoic acid;pyrrole-2,5-dione
CID 69198305
CID 157089134
CID 157089134
2-amino-3-hydroxypropanoic acid;urea
CID 90283765
2-amino-3-hydroxypropanoic acid;oxalic acid
CID 174377676
2-amino-3-hydroxypropanoic acid;fluorobenzene
CID 175128385
(2S)-2-amino-3-hydroxypropanoic acid;1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione
CID 173032765
octakis(2-aminoacetic acid);bis((2S)-2-amino-3-hydroxypropanoic acid)
CID 157446719
2-amino-3-hydroxypropanoic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene
CID 70461893
(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid
CID 87207256
(2S)-2-amino-3-hydroxypropanoic acid;isocyanic acid
CID 87840009
trisodium;tris((2S)-2-amino-3-hydroxypropanoic acid);borate
CID 173145098

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxypropanoic acid;pyrrole-2,5-dione?
The IUPAC name of (2S)-2-amino-3-hydroxypropanoic acid;pyrrole-2,5-dione (CID 160632774) is (2S)-2-amino-3-hydroxypropanoic acid;pyrrole-2,5-dione.
What is the SMILES notation for (2S)-2-amino-3-hydroxypropanoic acid;pyrrole-2,5-dione?
The canonical SMILES for (2S)-2-amino-3-hydroxypropanoic acid;pyrrole-2,5-dione is N[C@@H](CO)C(=O)O.O=C1C=CC(=O)N1.
What is the InChIKey of (2S)-2-amino-3-hydroxypropanoic acid;pyrrole-2,5-dione?
The InChIKey is RIDBYVJDEIKJPK-WNQIDUERSA-N. The full InChI is InChI=1S/C4H3NO2.C3H7NO3/c6-3-1-2-4(7)5-3;4-2(1-5)3(6)7/h1-2H,(H,5,6,7);2,5H,1,4H2,(H,6,7)/t;2-/m.0/s1.
What are the key properties of (2S)-2-amino-3-hydroxypropanoic acid;pyrrole-2,5-dione?
(2S)-2-amino-3-hydroxypropanoic acid;pyrrole-2,5-dione has a molecular weight of 202.17 g/mol, XLogP of -2.41, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-hydroxypropanoic acid;pyrrole-2,5-dione is sourced from PubChem (CID 160632774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).