tert-butyl 2-amino-4-cyclopentyl-4-oxobutanoate

C13H23NO3 — CID 104749788

IUPACtert-butyl 2-amino-4-cyclopentyl-4-oxobutanoate
SMILESCC(C)(C)OC(=O)C(N)CC(=O)C1CCCC1
InChIInChI=1S/C13H23NO3/c1-13(2,3)17-12(16)10(14)8-11(15)9-6-4-5-7-9/h9-10H,4-8,14H2,1-3H3
InChIKeyQUROHPBVSKAMSG-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.80
Rot. Bonds4

About tert-butyl 2-amino-4-cyclopentyl-4-oxobutanoate

tert-butyl 2-amino-4-cyclopentyl-4-oxobutanoate (PubChem CID 104749788) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is tert-butyl 2-amino-4-cyclopentyl-4-oxobutanoate.

Molecular Properties

Compound Nametert-butyl 2-amino-4-cyclopentyl-4-oxobutanoate
PubChem CID104749788
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nametert-butyl 2-amino-4-cyclopentyl-4-oxobutanoate
SMILESCC(C)(C)OC(=O)C(N)CC(=O)C1CCCC1
InChIInChI=1S/C13H23NO3/c1-13(2,3)17-12(16)10(14)8-11(15)9-6-4-5-7-9/h9-10H,4-8,14H2,1-3H3
InChIKeyQUROHPBVSKAMSG-UHFFFAOYSA-N
XLogP1.80
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-[[4-cyclopentyl-1-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]amino]butanoic acid
CID 121435406
tert-butyl 2-amino-3-cyclohexylpropanoate
CID 20814860
ditert-butyl (2S)-2-aminobutanedioate;ditert-butyl (2R)-2-aminobutanedioate
CID 163821206
tert-butyl (2S)-2-amino-3-cyclopropylpropanoate
CID 12018345
tert-butyl (2S)-2-aminopent-4-ynoate
CID 44754800
1-O-tert-butyl 4-O-methyl (2R)-2-aminobutanedioate
CID 14352279
1-cycloheptyl-3,5,5-trimethylhexan-1-one
CID 115794795
tert-butyl N-(2-cyclopentyl-2-oxoethyl)-N-ethylcarbamate
CID 165468490
tert-butyl (2R)-2-aminobutanoate
CID 13283520
tert-butyl 2,4-diaminopentanoate;hydrochloride
CID 73010870
3-amino-1-cyclopentylhexan-1-one
CID 116607728
tert-butyl 2-amino-4-(tert-butylamino)-4-oxobutanoate
CID 87443348

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-4-cyclopentyl-4-oxobutanoate?
The IUPAC name of tert-butyl 2-amino-4-cyclopentyl-4-oxobutanoate (CID 104749788) is tert-butyl 2-amino-4-cyclopentyl-4-oxobutanoate.
What is the SMILES notation for tert-butyl 2-amino-4-cyclopentyl-4-oxobutanoate?
The canonical SMILES for tert-butyl 2-amino-4-cyclopentyl-4-oxobutanoate is CC(C)(C)OC(=O)C(N)CC(=O)C1CCCC1.
What is the InChIKey of tert-butyl 2-amino-4-cyclopentyl-4-oxobutanoate?
The InChIKey is QUROHPBVSKAMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-13(2,3)17-12(16)10(14)8-11(15)9-6-4-5-7-9/h9-10H,4-8,14H2,1-3H3.
What are the key properties of tert-butyl 2-amino-4-cyclopentyl-4-oxobutanoate?
tert-butyl 2-amino-4-cyclopentyl-4-oxobutanoate has a molecular weight of 241.33 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-4-cyclopentyl-4-oxobutanoate is sourced from PubChem (CID 104749788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).