tert-butyl 2-[cyclopentyl(ethyl)amino]acetate

C13H25NO2 — CID 137320187

IUPACtert-butyl 2-[cyclopentyl(ethyl)amino]acetate
SMILESCCN(CC(=O)OC(C)(C)C)C1CCCC1
InChIInChI=1S/C13H25NO2/c1-5-14(11-8-6-7-9-11)10-12(15)16-13(2,3)4/h11H,5-10H2,1-4H3
InChIKeyBEFHJPBMKONXGG-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.59
Rot. Bonds4

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

tert-butyl 2-[cyclopentyl(ethyl)amino]acetate (PubChem CID 137320187) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is tert-butyl 2-[cyclopentyl(ethyl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[cyclopentyl(ethyl)amino]acetate
PubChem CID137320187
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nametert-butyl 2-[cyclopentyl(ethyl)amino]acetate
SMILESCCN(CC(=O)OC(C)(C)C)C1CCCC1
InChIInChI=1S/C13H25NO2/c1-5-14(11-8-6-7-9-11)10-12(15)16-13(2,3)4/h11H,5-10H2,1-4H3
InChIKeyBEFHJPBMKONXGG-UHFFFAOYSA-N
XLogP2.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-[(3-aminocyclobutyl)-ethylamino]acetate
CID 86775203
tert-butyl 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]acetate
CID 61230595
tert-butyl 2-[[(1S,2S)-2-[[(1S,2S)-2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclohexyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclohexyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
CID 54539679
tert-butyl 2-[ethyl-[(3S)-2-oxopyrrolidin-3-yl]amino]acetate
CID 129359149
tert-butyl 4-[(2-amino-2-oxoethyl)-cyclopentylamino]-4-oxobutanoate
CID 106707244
1-cyclohexyl-2-[cyclopentyl(ethyl)amino]ethanone
CID 104750031
tert-butyl 2-[cyclopentyl-(2-methyl-3-sulfanylpropanoyl)amino]acetate
CID 13469597
tert-butyl 2-[[(2R)-2-hydroxypropyl]-piperidin-4-ylamino]acetate
CID 69373448
4-[cyclopentyl(ethyl)amino]-3,3-dimethylbutan-2-one
CID 66453368
tert-butyl N,N-di(cyclobutyl)carbamate
CID 162343429
N-(tert-butylcarbamoyl)-2-[cyclohexyl(ethyl)amino]acetamide
CID 34619301
4-[cyclohexyl(ethyl)amino]-3,3-dimethylbutan-2-one
CID 66455311

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[cyclopentyl(ethyl)amino]acetate?
The IUPAC name of tert-butyl 2-[cyclopentyl(ethyl)amino]acetate (CID 137320187) is tert-butyl 2-[cyclopentyl(ethyl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[cyclopentyl(ethyl)amino]acetate?
The canonical SMILES for tert-butyl 2-[cyclopentyl(ethyl)amino]acetate is CCN(CC(=O)OC(C)(C)C)C1CCCC1.
What is the InChIKey of tert-butyl 2-[cyclopentyl(ethyl)amino]acetate?
The InChIKey is BEFHJPBMKONXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-14(11-8-6-7-9-11)10-12(15)16-13(2,3)4/h11H,5-10H2,1-4H3.
What are the key properties of tert-butyl 2-[cyclopentyl(ethyl)amino]acetate?
tert-butyl 2-[cyclopentyl(ethyl)amino]acetate has a molecular weight of 227.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[cyclopentyl(ethyl)amino]acetate is sourced from PubChem (CID 137320187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).