benzyl (2S)-2-[(2S)-2-aminopropanoyl]pyrrolidine-1-carboxylate

C15H20N2O3 — CID 10869549

IUPACbenzyl (2S)-2-[(2S)-2-aminopropanoyl]pyrrolidine-1-carboxylate
SMILESC[C@H](N)C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C15H20N2O3/c1-11(16)14(18)13-8-5-9-17(13)15(19)20-10-12-6-3-2-4-7-12/h2-4,6-7,11,13H,5,8-10,16H2,1H3/t11-,13-/m0/s1
InChIKeyLWWDRAIFWAYTOA-AAEUAGOBSA-N
MW276.34 g/mol
LogP1.70
Rot. Bonds4

About benzyl (2S)-2-[(2S)-2-aminopropanoyl]pyrrolidine-1-carboxylate

benzyl (2S)-2-[(2S)-2-aminopropanoyl]pyrrolidine-1-carboxylate (PubChem CID 10869549) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is benzyl (2S)-2-[(2S)-2-aminopropanoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-2-[(2S)-2-aminopropanoyl]pyrrolidine-1-carboxylate
PubChem CID10869549
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namebenzyl (2S)-2-[(2S)-2-aminopropanoyl]pyrrolidine-1-carboxylate
SMILESC[C@H](N)C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C15H20N2O3/c1-11(16)14(18)13-8-5-9-17(13)15(19)20-10-12-6-3-2-4-7-12/h2-4,6-7,11,13H,5,8-10,16H2,1H3/t11-,13-/m0/s1
InChIKeyLWWDRAIFWAYTOA-AAEUAGOBSA-N
XLogP1.70
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl (2S)-2-[(2S)-2-aminopropanoyl]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 2-(2-acetyl-3-oxobutanoyl)pyrrolidine-1-carboxylate
CID 59850464
benzyl (2R)-2-acetylpiperidine-1-carboxylate
CID 89477385
benzyl (2R)-2-[[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 92842574
benzyl 2-benzoylpyrrolidine-1-carboxylate
CID 110357682
1-O-benzyl 2-O-(2-methylpropyl) piperidine-1,2-dicarboxylate
CID 100995684
benzyl 2-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 4092929
benzyl (2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylate
CID 13034409
benzyl (2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 667614
[amino-(1-phenylmethoxycarbonylpyrrolidin-2-yl)methylidene]azanium chloride
CID 135905283
methyl (2S)-1-[(2R)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 118687273
1-O-benzyl 2-O-propyl pyrrolidine-1,2-dicarboxylate
CID 91699700
methyl (2S)-1-[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 12859190

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-[(2S)-2-aminopropanoyl]pyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2S)-2-[(2S)-2-aminopropanoyl]pyrrolidine-1-carboxylate (CID 10869549) is benzyl (2S)-2-[(2S)-2-aminopropanoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2S)-2-[(2S)-2-aminopropanoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2S)-2-[(2S)-2-aminopropanoyl]pyrrolidine-1-carboxylate is C[C@H](N)C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2S)-2-[(2S)-2-aminopropanoyl]pyrrolidine-1-carboxylate?
The InChIKey is LWWDRAIFWAYTOA-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11(16)14(18)13-8-5-9-17(13)15(19)20-10-12-6-3-2-4-7-12/h2-4,6-7,11,13H,5,8-10,16H2,1H3/t11-,13-/m0/s1.
What are the key properties of benzyl (2S)-2-[(2S)-2-aminopropanoyl]pyrrolidine-1-carboxylate?
benzyl (2S)-2-[(2S)-2-aminopropanoyl]pyrrolidine-1-carboxylate has a molecular weight of 276.34 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-[(2S)-2-aminopropanoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 10869549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).