benzyl 2-(pyrrolidin-3-ylamino)propanoate

C14H20N2O2 — CID 19853358

IUPACbenzyl 2-(pyrrolidin-3-ylamino)propanoate
SMILESCC(NC1CCNC1)C(=O)OCc1ccccc1
InChIInChI=1S/C14H20N2O2/c1-11(16-13-7-8-15-9-13)14(17)18-10-12-5-3-2-4-6-12/h2-6,11,13,15-16H,7-10H2,1H3
InChIKeyXNPQBPHCSJIFBJ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.07
Rot. Bonds5

About benzyl 2-(pyrrolidin-3-ylamino)propanoate

benzyl 2-(pyrrolidin-3-ylamino)propanoate (PubChem CID 19853358) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is benzyl 2-(pyrrolidin-3-ylamino)propanoate.

Molecular Properties

Compound Namebenzyl 2-(pyrrolidin-3-ylamino)propanoate
PubChem CID19853358
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namebenzyl 2-(pyrrolidin-3-ylamino)propanoate
SMILESCC(NC1CCNC1)C(=O)OCc1ccccc1
InChIInChI=1S/C14H20N2O2/c1-11(16-13-7-8-15-9-13)14(17)18-10-12-5-3-2-4-6-12/h2-6,11,13,15-16H,7-10H2,1H3
InChIKeyXNPQBPHCSJIFBJ-UHFFFAOYSA-N
XLogP1.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze benzyl 2-(pyrrolidin-3-ylamino)propanoate 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

benzyl 2-(cyclopentylamino)propanoate
CID 123711216
ethyl 2-(pyrrolidin-3-ylamino)propanoate
CID 79741945
benzyl 2-amino-2-pyrrolidin-3-ylacetate
CID 71302808
dibenzyl 2,3-dihydroxybutanedioate;N-[(3R)-piperidin-3-yl]acetamide
CID 90003955
benzyl 2-methyl-3-[methyl(pyrrolidin-3-yl)amino]propanoate
CID 106484429
benzyl 2-[[(2R,3R)-2-(2-methylpropyl)-4-oxoazetidin-3-yl]amino]propanoate
CID 22822744
2-(pyrrolidin-3-ylamino)propanoic acid
CID 66810239
benzyl 4-(piperidin-4-ylamino)piperidine-1-carboxylate
CID 170993979
benzyl N-propan-2-yl-N-[[(3R)-pyrrolidin-3-yl]methyl]carbamate
CID 96555674
2-phenyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 79688083
benzyl 2-(piperidin-4-ylamino)acetate
CID 19853378
benzyl (2S)-2-cyclopropylpropanoate
CID 59779045

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(pyrrolidin-3-ylamino)propanoate?
The IUPAC name of benzyl 2-(pyrrolidin-3-ylamino)propanoate (CID 19853358) is benzyl 2-(pyrrolidin-3-ylamino)propanoate.
What is the SMILES notation for benzyl 2-(pyrrolidin-3-ylamino)propanoate?
The canonical SMILES for benzyl 2-(pyrrolidin-3-ylamino)propanoate is CC(NC1CCNC1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-(pyrrolidin-3-ylamino)propanoate?
The InChIKey is XNPQBPHCSJIFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11(16-13-7-8-15-9-13)14(17)18-10-12-5-3-2-4-6-12/h2-6,11,13,15-16H,7-10H2,1H3.
What are the key properties of benzyl 2-(pyrrolidin-3-ylamino)propanoate?
benzyl 2-(pyrrolidin-3-ylamino)propanoate has a molecular weight of 248.33 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(pyrrolidin-3-ylamino)propanoate is sourced from PubChem (CID 19853358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).