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

C19H25N3O6 — CID 19867937

IUPACmethyl 2-[[1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoate
SMILESCOC(=O)C(C)NC(=O)C1CCCN1C(=O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C19H25N3O6/c1-13(18(25)27-2)21-17(24)15-9-6-10-22(15)16(23)11-20-19(26)28-12-14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12H2,1-2H3,(H,20,26)(H,21,24)
InChIKeyIIECMOSBWZNVMW-UHFFFAOYSA-N
MW391.42 g/mol
LogP0.58
Rot. Bonds7

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

methyl 2-[[1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoate (PubChem CID 19867937) has the molecular formula C19H25N3O6 and a molecular weight of 391.42 g/mol. Its IUPAC name is methyl 2-[[1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoate
PubChem CID19867937
Molecular FormulaC19H25N3O6
Molecular Weight391.42 g/mol
Exact Mass391.17
IUPAC Namemethyl 2-[[1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoate
SMILESCOC(=O)C(C)NC(=O)C1CCCN1C(=O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C19H25N3O6/c1-13(18(25)27-2)21-17(24)15-9-6-10-22(15)16(23)11-20-19(26)28-12-14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12H2,1-2H3,(H,20,26)(H,21,24)
InChIKeyIIECMOSBWZNVMW-UHFFFAOYSA-N
XLogP0.58
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 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 2-[[1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoate?
The IUPAC name of methyl 2-[[1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoate (CID 19867937) is methyl 2-[[1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoate.
What is the SMILES notation for methyl 2-[[1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoate?
The canonical SMILES for methyl 2-[[1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoate is COC(=O)C(C)NC(=O)C1CCCN1C(=O)CNC(=O)OCc1ccccc1.
What is the InChIKey of methyl 2-[[1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoate?
The InChIKey is IIECMOSBWZNVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O6/c1-13(18(25)27-2)21-17(24)15-9-6-10-22(15)16(23)11-20-19(26)28-12-14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12H2,1-2H3,(H,20,26)(H,21,24).
What are the key properties of methyl 2-[[1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoate?
methyl 2-[[1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoate has a molecular weight of 391.42 g/mol, XLogP of 0.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoate is sourced from PubChem (CID 19867937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).