tert-butyl (2R)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoate

C14H23NO3 — CID 81004154

IUPACtert-butyl (2R)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoate
SMILESC[C@@H](NC(=O)CC1C=CCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H23NO3/c1-10(13(17)18-14(2,3)4)15-12(16)9-11-7-5-6-8-11/h5,7,10-11H,6,8-9H2,1-4H3,(H,15,16)/t10-,11?/m1/s1
InChIKeyDCGMIVGOOXCFNM-NFJWQWPMSA-N
MW253.34 g/mol
LogP2.19
Rot. Bonds4

About tert-butyl (2R)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoate

tert-butyl (2R)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoate (PubChem CID 81004154) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoate
PubChem CID81004154
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Nametert-butyl (2R)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoate
SMILESC[C@@H](NC(=O)CC1C=CCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H23NO3/c1-10(13(17)18-14(2,3)4)15-12(16)9-11-7-5-6-8-11/h5,7,10-11H,6,8-9H2,1-4H3,(H,15,16)/t10-,11?/m1/s1
InChIKeyDCGMIVGOOXCFNM-NFJWQWPMSA-N
XLogP2.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl (2R)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]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

2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoic acid
CID 24696738
(2R)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoic acid
CID 78972953
methyl (2R)-2-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-3,3-dimethylbutanoate
CID 95630239
tert-butyl (2S)-2-[(2-cyclobutylacetyl)amino]propanoate
CID 103822364
N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclopent-2-en-1-ylacetamide
CID 115310441
tert-butyl (2S)-2-[(2-cycloheptylacetyl)amino]propanoate
CID 103822349
methyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-3-hydroxypropanoate
CID 43407202
(2S)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylpentanoic acid
CID 61155871
2-[(1S)-cyclopent-2-en-1-yl]-N-[(2R,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]acetamide
CID 97235375
2-cyclopent-2-en-1-yl-N-(4-ethylsulfanylbutan-2-yl)acetamide
CID 71993245
tert-butyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate
CID 137320750
N-(2-amino-3-hydroxybutyl)-2-cyclopent-2-en-1-ylacetamide
CID 64539561

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoate?
The IUPAC name of tert-butyl (2R)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoate (CID 81004154) is tert-butyl (2R)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoate.
What is the SMILES notation for tert-butyl (2R)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoate?
The canonical SMILES for tert-butyl (2R)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoate is C[C@@H](NC(=O)CC1C=CCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoate?
The InChIKey is DCGMIVGOOXCFNM-NFJWQWPMSA-N. The full InChI is InChI=1S/C14H23NO3/c1-10(13(17)18-14(2,3)4)15-12(16)9-11-7-5-6-8-11/h5,7,10-11H,6,8-9H2,1-4H3,(H,15,16)/t10-,11?/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoate?
tert-butyl (2R)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoate has a molecular weight of 253.34 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoate is sourced from PubChem (CID 81004154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).