methyl (2S,3S)-3-hydroxy-2-(pyrrolidine-1-carbonylamino)butanoate

C10H18N2O4 — CID 135037693

IUPACmethyl (2S,3S)-3-hydroxy-2-(pyrrolidine-1-carbonylamino)butanoate
SMILESCOC(=O)[C@@H](NC(=O)N1CCCC1)[C@H](C)O
InChIInChI=1S/C10H18N2O4/c1-7(13)8(9(14)16-2)11-10(15)12-5-3-4-6-12/h7-8,13H,3-6H2,1-2H3,(H,11,15)/t7-,8-/m0/s1
InChIKeyRHPICWXOKBGZFC-YUMQZZPRSA-N
MW230.26 g/mol
LogP-0.29
Rot. Bonds3

About methyl (2S,3S)-3-hydroxy-2-(pyrrolidine-1-carbonylamino)butanoate

methyl (2S,3S)-3-hydroxy-2-(pyrrolidine-1-carbonylamino)butanoate (PubChem CID 135037693) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is methyl (2S,3S)-3-hydroxy-2-(pyrrolidine-1-carbonylamino)butanoate.

Molecular Properties

Compound Namemethyl (2S,3S)-3-hydroxy-2-(pyrrolidine-1-carbonylamino)butanoate
PubChem CID135037693
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Namemethyl (2S,3S)-3-hydroxy-2-(pyrrolidine-1-carbonylamino)butanoate
SMILESCOC(=O)[C@@H](NC(=O)N1CCCC1)[C@H](C)O
InChIInChI=1S/C10H18N2O4/c1-7(13)8(9(14)16-2)11-10(15)12-5-3-4-6-12/h7-8,13H,3-6H2,1-2H3,(H,11,15)/t7-,8-/m0/s1
InChIKeyRHPICWXOKBGZFC-YUMQZZPRSA-N
XLogP-0.29
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl (2S,3S)-3-hydroxy-2-(pyrrolidine-1-carbonylamino)butanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S)-3-hydroxy-2-(pyrrolidine-1-carbonylamino)butanoate?
The IUPAC name of methyl (2S,3S)-3-hydroxy-2-(pyrrolidine-1-carbonylamino)butanoate (CID 135037693) is methyl (2S,3S)-3-hydroxy-2-(pyrrolidine-1-carbonylamino)butanoate.
What is the SMILES notation for methyl (2S,3S)-3-hydroxy-2-(pyrrolidine-1-carbonylamino)butanoate?
The canonical SMILES for methyl (2S,3S)-3-hydroxy-2-(pyrrolidine-1-carbonylamino)butanoate is COC(=O)[C@@H](NC(=O)N1CCCC1)[C@H](C)O.
What is the InChIKey of methyl (2S,3S)-3-hydroxy-2-(pyrrolidine-1-carbonylamino)butanoate?
The InChIKey is RHPICWXOKBGZFC-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-7(13)8(9(14)16-2)11-10(15)12-5-3-4-6-12/h7-8,13H,3-6H2,1-2H3,(H,11,15)/t7-,8-/m0/s1.
What are the key properties of methyl (2S,3S)-3-hydroxy-2-(pyrrolidine-1-carbonylamino)butanoate?
methyl (2S,3S)-3-hydroxy-2-(pyrrolidine-1-carbonylamino)butanoate has a molecular weight of 230.26 g/mol, XLogP of -0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3S)-3-hydroxy-2-(pyrrolidine-1-carbonylamino)butanoate is sourced from PubChem (CID 135037693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).