tert-butyl (2R)-1-[2-(butylamino)acetyl]pyrrolidine-2-carboxylate

C15H28N2O3 — CID 54275952

IUPACtert-butyl (2R)-1-[2-(butylamino)acetyl]pyrrolidine-2-carboxylate
SMILESCCCCNCC(=O)N1CCC[C@@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-5-6-9-16-11-13(18)17-10-7-8-12(17)14(19)20-15(2,3)4/h12,16H,5-11H2,1-4H3/t12-/m1/s1
InChIKeyRNKYFLCYJWNIBD-GFCCVEGCSA-N
MW284.40 g/mol
LogP1.71
Rot. Bonds6

About tert-butyl (2R)-1-[2-(butylamino)acetyl]pyrrolidine-2-carboxylate

tert-butyl (2R)-1-[2-(butylamino)acetyl]pyrrolidine-2-carboxylate (PubChem CID 54275952) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl (2R)-1-[2-(butylamino)acetyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-1-[2-(butylamino)acetyl]pyrrolidine-2-carboxylate
PubChem CID54275952
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl (2R)-1-[2-(butylamino)acetyl]pyrrolidine-2-carboxylate
SMILESCCCCNCC(=O)N1CCC[C@@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-5-6-9-16-11-13(18)17-10-7-8-12(17)14(19)20-15(2,3)4/h12,16H,5-11H2,1-4H3/t12-/m1/s1
InChIKeyRNKYFLCYJWNIBD-GFCCVEGCSA-N
XLogP1.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl (2R)-1-[2-(butylamino)acetyl]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

tert-butyl (2S)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carboxylate
CID 95973096
butyl (2S)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carboxylate
CID 118516527
tert-butyl (2S)-1-butanoylpiperidine-2-carboxylate
CID 139635911
tert-butyl 1-(2-aminoacetyl)pyrrolidine-2-carboxylate;hydrochloride
CID 76532364
tert-butyl (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylate;hydrochloride
CID 57383535
tert-butyl (2S)-1-(3-methoxypropanoyl)pyrrolidine-2-carboxylate
CID 81003896
2-O-tert-butyl 1-O-ethyl (2R)-pyrrolidine-1,2-dicarboxylate
CID 66902636
(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-1-carboxylic acid
CID 13299703
tert-butyl (2S)-1-butylpyrrolidine-2-carboxylate
CID 81002235
tert-butyl (2R)-1-[1-(butylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 115537692
tert-butyl (2R)-1-nonylpyrrolidine-2-carboxylate
CID 115537600
tert-butyl (2R)-1-[2-[acetyl(methyl)amino]acetyl]pyrrolidine-2-carboxylate
CID 81002030

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-1-[2-(butylamino)acetyl]pyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl (2R)-1-[2-(butylamino)acetyl]pyrrolidine-2-carboxylate (CID 54275952) is tert-butyl (2R)-1-[2-(butylamino)acetyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2R)-1-[2-(butylamino)acetyl]pyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl (2R)-1-[2-(butylamino)acetyl]pyrrolidine-2-carboxylate is CCCCNCC(=O)N1CCC[C@@H]1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-1-[2-(butylamino)acetyl]pyrrolidine-2-carboxylate?
The InChIKey is RNKYFLCYJWNIBD-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-6-9-16-11-13(18)17-10-7-8-12(17)14(19)20-15(2,3)4/h12,16H,5-11H2,1-4H3/t12-/m1/s1.
What are the key properties of tert-butyl (2R)-1-[2-(butylamino)acetyl]pyrrolidine-2-carboxylate?
tert-butyl (2R)-1-[2-(butylamino)acetyl]pyrrolidine-2-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-1-[2-(butylamino)acetyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 54275952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).