benzyl 3-[(3-amino-2-hydroxy-3-oxopropyl)carbamoyl]pyrrolidine-1-carboxylate

C16H21N3O5 — CID 154865844

IUPACbenzyl 3-[(3-amino-2-hydroxy-3-oxopropyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESNC(=O)C(O)CNC(=O)C1CCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C16H21N3O5/c17-14(21)13(20)8-18-15(22)12-6-7-19(9-12)16(23)24-10-11-4-2-1-3-5-11/h1-5,12-13,20H,6-10H2,(H2,17,21)(H,18,22)
InChIKeyZFQYIGGZNWYSAW-UHFFFAOYSA-N
MW335.36 g/mol
LogP-0.39
Rot. Bonds6

About benzyl 3-[(3-amino-2-hydroxy-3-oxopropyl)carbamoyl]pyrrolidine-1-carboxylate

benzyl 3-[(3-amino-2-hydroxy-3-oxopropyl)carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 154865844) has the molecular formula C16H21N3O5 and a molecular weight of 335.36 g/mol. Its IUPAC name is benzyl 3-[(3-amino-2-hydroxy-3-oxopropyl)carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-[(3-amino-2-hydroxy-3-oxopropyl)carbamoyl]pyrrolidine-1-carboxylate
PubChem CID154865844
Molecular FormulaC16H21N3O5
Molecular Weight335.36 g/mol
Exact Mass335.15
IUPAC Namebenzyl 3-[(3-amino-2-hydroxy-3-oxopropyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESNC(=O)C(O)CNC(=O)C1CCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C16H21N3O5/c17-14(21)13(20)8-18-15(22)12-6-7-19(9-12)16(23)24-10-11-4-2-1-3-5-11/h1-5,12-13,20H,6-10H2,(H2,17,21)(H,18,22)
InChIKeyZFQYIGGZNWYSAW-UHFFFAOYSA-N
XLogP-0.39
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze benzyl 3-[(3-amino-2-hydroxy-3-oxopropyl)carbamoyl]pyrrolidine-1-carboxylate 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 (3R)-3-carbamoylpyrrolidine-1-carboxylate
CID 27281872
benzyl (3S)-3-carbonochloridoylpyrrolidine-1-carboxylate
CID 125117165
1-phenylmethoxycarbonylpyrrolidine-3-carboxylate
CID 74447193
benzyl (3R)-3-[(2-amino-3-ethoxy-3-oxopropyl)carbamoyl]piperidine-1-carboxylate
CID 67778403
benzyl 3-[2-(2-methylpropanoylamino)acetyl]pyrrolidine-1-carboxylate
CID 161057627
benzyl 4-(2-chloroethylcarbamoyl)piperidine-1-carboxylate
CID 3416715
benzyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-1-carboxylate
CID 3776046
benzyl 3-[(2-chloro-6-fluoroanilino)carbamoyl]pyrrolidine-1-carboxylate
CID 146100643
benzyl 3-(3-ethoxy-3-oxopropanoyl)pyrrolidine-1-carboxylate
CID 155295084
benzyl 4-(formamidocarbamoyl)piperidine-1-carboxylate
CID 171405341
benzyl (3R)-3-anilinopyrrolidine-1-carboxylate
CID 171854263
benzyl (3S)-3-(bromomethyl)pyrrolidine-1-carboxylate
CID 96555481

Frequently Asked Questions

What is the IUPAC name of benzyl 3-[(3-amino-2-hydroxy-3-oxopropyl)carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of benzyl 3-[(3-amino-2-hydroxy-3-oxopropyl)carbamoyl]pyrrolidine-1-carboxylate (CID 154865844) is benzyl 3-[(3-amino-2-hydroxy-3-oxopropyl)carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 3-[(3-amino-2-hydroxy-3-oxopropyl)carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 3-[(3-amino-2-hydroxy-3-oxopropyl)carbamoyl]pyrrolidine-1-carboxylate is NC(=O)C(O)CNC(=O)C1CCN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl 3-[(3-amino-2-hydroxy-3-oxopropyl)carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is ZFQYIGGZNWYSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5/c17-14(21)13(20)8-18-15(22)12-6-7-19(9-12)16(23)24-10-11-4-2-1-3-5-11/h1-5,12-13,20H,6-10H2,(H2,17,21)(H,18,22).
What are the key properties of benzyl 3-[(3-amino-2-hydroxy-3-oxopropyl)carbamoyl]pyrrolidine-1-carboxylate?
benzyl 3-[(3-amino-2-hydroxy-3-oxopropyl)carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 335.36 g/mol, XLogP of -0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-[(3-amino-2-hydroxy-3-oxopropyl)carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 154865844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).