tert-butyl (3S)-3-amino-5-(2-oxopiperidin-1-yl)pentanoate

C14H26N2O3 — CID 129204552

IUPACtert-butyl (3S)-3-amino-5-(2-oxopiperidin-1-yl)pentanoate
SMILESCC(C)(C)OC(=O)C[C@@H](N)CCN1CCCCC1=O
InChIInChI=1S/C14H26N2O3/c1-14(2,3)19-13(18)10-11(15)7-9-16-8-5-4-6-12(16)17/h11H,4-10,15H2,1-3H3/t11-/m0/s1
InChIKeyIQECCUZAWJRGNL-NSHDSACASA-N
MW270.37 g/mol
LogP1.45
Rot. Bonds5

About tert-butyl (3S)-3-amino-5-(2-oxopiperidin-1-yl)pentanoate

tert-butyl (3S)-3-amino-5-(2-oxopiperidin-1-yl)pentanoate (PubChem CID 129204552) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl (3S)-3-amino-5-(2-oxopiperidin-1-yl)pentanoate.

Molecular Properties

Compound Nametert-butyl (3S)-3-amino-5-(2-oxopiperidin-1-yl)pentanoate
PubChem CID129204552
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl (3S)-3-amino-5-(2-oxopiperidin-1-yl)pentanoate
SMILESCC(C)(C)OC(=O)C[C@@H](N)CCN1CCCCC1=O
InChIInChI=1S/C14H26N2O3/c1-14(2,3)19-13(18)10-11(15)7-9-16-8-5-4-6-12(16)17/h11H,4-10,15H2,1-3H3/t11-/m0/s1
InChIKeyIQECCUZAWJRGNL-NSHDSACASA-N
XLogP1.45
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-amino-5-(2,3-difluoropiperidin-1-yl)pentanoate
CID 129204676
2-methyl-4-(2-oxopiperidin-1-yl)butanoic acid
CID 12842030
1-(3-hydroxy-3-methoxypropyl)azepan-2-one
CID 146591726
ethyl 3-(2-oxoazepan-1-yl)propanoate
CID 14922094
1-[(3S)-3-(2-oxoazepan-1-yl)butyl]azepan-2-one
CID 139182076
tert-butyl (3S)-3-aminodecanoate
CID 165357180
1-(2-oxopyrrolidin-1-yl)pentan-3-yl acetate
CID 159544369
1-(3,3-dimethylbutyl)azepan-2-one
CID 15031641
tert-butyl 3-[2-(2-oxoazepan-1-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 55688927
1-(3,3-diethoxypropyl)pyrrolidin-2-one
CID 63628099
3-(2-oxopyrrolidin-1-yl)propyl 2,2-dimethylpropanoate
CID 123583092
2-[2-(2-oxopyrrolidin-1-yl)ethoxycarbonyloxy]ethyl 2,2,3-trimethylbutanoate
CID 130382780

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-amino-5-(2-oxopiperidin-1-yl)pentanoate?
The IUPAC name of tert-butyl (3S)-3-amino-5-(2-oxopiperidin-1-yl)pentanoate (CID 129204552) is tert-butyl (3S)-3-amino-5-(2-oxopiperidin-1-yl)pentanoate.
What is the SMILES notation for tert-butyl (3S)-3-amino-5-(2-oxopiperidin-1-yl)pentanoate?
The canonical SMILES for tert-butyl (3S)-3-amino-5-(2-oxopiperidin-1-yl)pentanoate is CC(C)(C)OC(=O)C[C@@H](N)CCN1CCCCC1=O.
What is the InChIKey of tert-butyl (3S)-3-amino-5-(2-oxopiperidin-1-yl)pentanoate?
The InChIKey is IQECCUZAWJRGNL-NSHDSACASA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(2,3)19-13(18)10-11(15)7-9-16-8-5-4-6-12(16)17/h11H,4-10,15H2,1-3H3/t11-/m0/s1.
What are the key properties of tert-butyl (3S)-3-amino-5-(2-oxopiperidin-1-yl)pentanoate?
tert-butyl (3S)-3-amino-5-(2-oxopiperidin-1-yl)pentanoate has a molecular weight of 270.37 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-amino-5-(2-oxopiperidin-1-yl)pentanoate is sourced from PubChem (CID 129204552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).