methyl 3-hydroxy-2-[[1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoate

C19H25N3O7 — CID 24761596

IUPACmethyl 3-hydroxy-2-[[1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoate
SMILESCOC(=O)C(CO)NC(=O)C1CCCN1C(=O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C19H25N3O7/c1-28-18(26)14(11-23)21-17(25)15-8-5-9-22(15)16(24)10-20-19(27)29-12-13-6-3-2-4-7-13/h2-4,6-7,14-15,23H,5,8-12H2,1H3,(H,20,27)(H,21,25)
InChIKeyCZZWSNVAUGAQIC-UHFFFAOYSA-N
MW407.42 g/mol
LogP-0.45
Rot. Bonds8

About methyl 3-hydroxy-2-[[1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoate

methyl 3-hydroxy-2-[[1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoate (PubChem CID 24761596) has the molecular formula C19H25N3O7 and a molecular weight of 407.42 g/mol. Its IUPAC name is methyl 3-hydroxy-2-[[1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-[[1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoate
PubChem CID24761596
Molecular FormulaC19H25N3O7
Molecular Weight407.42 g/mol
Exact Mass407.17
IUPAC Namemethyl 3-hydroxy-2-[[1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoate
SMILESCOC(=O)C(CO)NC(=O)C1CCCN1C(=O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C19H25N3O7/c1-28-18(26)14(11-23)21-17(25)15-8-5-9-22(15)16(24)10-20-19(27)29-12-13-6-3-2-4-7-13/h2-4,6-7,14-15,23H,5,8-12H2,1H3,(H,20,27)(H,21,25)
InChIKeyCZZWSNVAUGAQIC-UHFFFAOYSA-N
XLogP-0.45
TPSA134.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze methyl 3-hydroxy-2-[[1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoate 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 3-hydroxy-2-[[1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoate?
The IUPAC name of methyl 3-hydroxy-2-[[1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoate (CID 24761596) is methyl 3-hydroxy-2-[[1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoate.
What is the SMILES notation for methyl 3-hydroxy-2-[[1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoate?
The canonical SMILES for methyl 3-hydroxy-2-[[1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoate is COC(=O)C(CO)NC(=O)C1CCCN1C(=O)CNC(=O)OCc1ccccc1.
What is the InChIKey of methyl 3-hydroxy-2-[[1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoate?
The InChIKey is CZZWSNVAUGAQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O7/c1-28-18(26)14(11-23)21-17(25)15-8-5-9-22(15)16(24)10-20-19(27)29-12-13-6-3-2-4-7-13/h2-4,6-7,14-15,23H,5,8-12H2,1H3,(H,20,27)(H,21,25).
What are the key properties of methyl 3-hydroxy-2-[[1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoate?
methyl 3-hydroxy-2-[[1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoate has a molecular weight of 407.42 g/mol, XLogP of -0.45, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-[[1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoate is sourced from PubChem (CID 24761596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).