tert-butyl 2-amino-2-[3-(aminomethyl)cyclopentyl]acetate

C12H24N2O2 — CID 57198840

IUPACtert-butyl 2-amino-2-[3-(aminomethyl)cyclopentyl]acetate
SMILESCC(C)(C)OC(=O)C(N)C1CCC(CN)C1
InChIInChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)10(14)9-5-4-8(6-9)7-13/h8-10H,4-7,13-14H2,1-3H3
InChIKeyYGDCZLOOYYSCSP-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.03
Rot. Bonds3

About tert-butyl 2-amino-2-[3-(aminomethyl)cyclopentyl]acetate

tert-butyl 2-amino-2-[3-(aminomethyl)cyclopentyl]acetate (PubChem CID 57198840) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is tert-butyl 2-amino-2-[3-(aminomethyl)cyclopentyl]acetate.

Molecular Properties

Compound Nametert-butyl 2-amino-2-[3-(aminomethyl)cyclopentyl]acetate
PubChem CID57198840
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nametert-butyl 2-amino-2-[3-(aminomethyl)cyclopentyl]acetate
SMILESCC(C)(C)OC(=O)C(N)C1CCC(CN)C1
InChIInChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)10(14)9-5-4-8(6-9)7-13/h8-10H,4-7,13-14H2,1-3H3
InChIKeyYGDCZLOOYYSCSP-UHFFFAOYSA-N
XLogP1.03
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2S)-2-amino-3-cyclopropylpropanoate
CID 12018345
tert-butyl 2-amino-2-(4,4-dimethylcyclohexyl)acetate
CID 167731611
(3-propan-2-ylcyclopentyl)methanamine
CID 55290681
tert-butyl 4-(aminomethyl)cyclohexane-1-carboxylate
CID 23444208
tert-butyl (2S)-2-amino-2-[(3R)-piperidin-1-ium-3-yl]acetate
CID 86307986
tert-butyl 2-amino-2-[4-[[[(1S)-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-phenylethyl]amino]methyl]cyclohexyl]acetate
CID 174531024
tert-butyl N-[2-[4-[(1S)-1-aminoethyl]cyclohexyl]ethyl]carbamate
CID 175690167
tert-butyl 2-(3-aminocyclohexyl)propanoate
CID 163419841
tert-butyl 2-amino-3-cyclohexylpropanoate
CID 20814860
tert-butyl (2R)-2-amino-2-[(3R)-piperidin-3-yl]acetate
CID 86307985
(3S)-3-(cyclopropylmethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 90086761
tert-butyl N-[(1R,3R)-3-(aminomethyl)cyclohexyl]carbamate
CID 71685847

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-2-[3-(aminomethyl)cyclopentyl]acetate?
The IUPAC name of tert-butyl 2-amino-2-[3-(aminomethyl)cyclopentyl]acetate (CID 57198840) is tert-butyl 2-amino-2-[3-(aminomethyl)cyclopentyl]acetate.
What is the SMILES notation for tert-butyl 2-amino-2-[3-(aminomethyl)cyclopentyl]acetate?
The canonical SMILES for tert-butyl 2-amino-2-[3-(aminomethyl)cyclopentyl]acetate is CC(C)(C)OC(=O)C(N)C1CCC(CN)C1.
What is the InChIKey of tert-butyl 2-amino-2-[3-(aminomethyl)cyclopentyl]acetate?
The InChIKey is YGDCZLOOYYSCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)10(14)9-5-4-8(6-9)7-13/h8-10H,4-7,13-14H2,1-3H3.
What are the key properties of tert-butyl 2-amino-2-[3-(aminomethyl)cyclopentyl]acetate?
tert-butyl 2-amino-2-[3-(aminomethyl)cyclopentyl]acetate has a molecular weight of 228.34 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-2-[3-(aminomethyl)cyclopentyl]acetate is sourced from PubChem (CID 57198840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).