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

C15H20N2O3 — CID 13034409

IUPACbenzyl (2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylate
SMILESC[C@H](N)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1
InChIInChI=1S/C15H20N2O3/c1-11(16)14(18)17-9-5-8-13(17)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
InChIKeyDIQUVKBEJJCUCP-AAEUAGOBSA-N
MW276.34 g/mol
LogP1.07
Rot. Bonds4

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

benzyl (2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylate (PubChem CID 13034409) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is benzyl (2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylate
PubChem CID13034409
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namebenzyl (2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylate
SMILESC[C@H](N)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1
InChIInChI=1S/C15H20N2O3/c1-11(16)14(18)17-9-5-8-13(17)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
InChIKeyDIQUVKBEJJCUCP-AAEUAGOBSA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl (2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-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 1-(2-amino-3,3-dimethylbutanoyl)pyrrolidine-2-carboxylate
CID 68762366
benzyl (2S)-1-[(2R)-2-amino-3-fluoropropanoyl]pyrrolidine-2-carboxylate
CID 54502157
benzyl (2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylate
CID 25241695
benzyl (2S)-1-[(2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylate
CID 25241684
benzyl (2S)-1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxylate;hydrochloride
CID 13391124
benzyl (2S)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylate
CID 45142238
(2S)-2-phenylmethoxycarbonylpiperidine-1-carboxylic acid
CID 68786469
benzyl (2S)-1-[(2S)-2-(diethylphosphorylamino)propanoyl]pyrrolidine-2-carboxylate
CID 70039995
benzyl (2S)-2-[(2S)-2-aminopropanoyl]pyrrolidine-1-carboxylate
CID 10869549
(4S)-4-amino-2-benzyl-5-oxo-5-[(2S)-2-phenylmethoxycarbonylpyrrolidin-1-yl]pentanoic acid
CID 18642142
benzyl (2S)-1-[6-oxo-6-[(2S)-2-phenylmethoxycarbonylpyrrolidin-1-yl]hexanoyl]pyrrolidine-2-carboxylate
CID 54052130
benzyl (2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidine-2-carboxylate;2,2,2-trifluoroacetic acid
CID 25058871

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylate?
The IUPAC name of benzyl (2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylate (CID 13034409) is benzyl (2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for benzyl (2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylate?
The canonical SMILES for benzyl (2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylate is C[C@H](N)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylate?
The InChIKey is DIQUVKBEJJCUCP-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11(16)14(18)17-9-5-8-13(17)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)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylate?
benzyl (2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylate has a molecular weight of 276.34 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 13034409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).