tert-butyl N-[[(3S)-1-(2-aminoethyl)pyrrolidin-3-yl]methyl]-N-cyclopropylcarbamate

C15H29N3O2 — CID 96553589

IUPACtert-butyl N-[[(3S)-1-(2-aminoethyl)pyrrolidin-3-yl]methyl]-N-cyclopropylcarbamate
SMILESCC(C)(C)OC(=O)N(C[C@H]1CCN(CCN)C1)C1CC1
InChIInChI=1S/C15H29N3O2/c1-15(2,3)20-14(19)18(13-4-5-13)11-12-6-8-17(10-12)9-7-16/h12-13H,4-11,16H2,1-3H3/t12-/m0/s1
InChIKeyXVJZCULGXLAITO-LBPRGKRZSA-N
MW283.42 g/mol
LogP1.67
Rot. Bonds5

About tert-butyl N-[[(3S)-1-(2-aminoethyl)pyrrolidin-3-yl]methyl]-N-cyclopropylcarbamate

tert-butyl N-[[(3S)-1-(2-aminoethyl)pyrrolidin-3-yl]methyl]-N-cyclopropylcarbamate (PubChem CID 96553589) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is tert-butyl N-[[(3S)-1-(2-aminoethyl)pyrrolidin-3-yl]methyl]-N-cyclopropylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[(3S)-1-(2-aminoethyl)pyrrolidin-3-yl]methyl]-N-cyclopropylcarbamate
PubChem CID96553589
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Nametert-butyl N-[[(3S)-1-(2-aminoethyl)pyrrolidin-3-yl]methyl]-N-cyclopropylcarbamate
SMILESCC(C)(C)OC(=O)N(C[C@H]1CCN(CCN)C1)C1CC1
InChIInChI=1S/C15H29N3O2/c1-15(2,3)20-14(19)18(13-4-5-13)11-12-6-8-17(10-12)9-7-16/h12-13H,4-11,16H2,1-3H3/t12-/m0/s1
InChIKeyXVJZCULGXLAITO-LBPRGKRZSA-N
XLogP1.67
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[(3S)-1-(2-aminoacetyl)pyrrolidin-3-yl]methyl]-N-cyclopropylcarbamate
CID 96553670
tert-butyl N-cyclopropyl-N-[2-[3-[(cyclopropylmethylamino)methyl]pyrrolidin-1-yl]ethyl]carbamate
CID 112722275
2-[(3S)-3-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]piperidin-1-yl]acetic acid
CID 96553828
tert-butyl N-[[1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylcarbamate
CID 66566243
tert-butyl N-[[1-(2-aminoethyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 66566102
N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-cyclopropylacetamide
CID 96554458
tert-butyl N-[[(3R)-1-(2-hydroxyethyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 96553536
tert-butyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]-N-cyclopropylcarbamate
CID 66566388
tert-butyl N-[1-(5-aminopentyl)piperidin-4-yl]-N-methylcarbamate
CID 165368889
2-[3-(diethylaminomethyl)pyrrolidin-1-yl]ethanamine
CID 19846080
tert-butyl 4-[[1-(2-aminoethyl)piperidin-4-yl]methyl]piperazine-1-carboxylate
CID 176580703
tert-butyl N-(3-aminopropyl)-N-(4-methylcyclohexyl)carbamate
CID 50987781

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(3S)-1-(2-aminoethyl)pyrrolidin-3-yl]methyl]-N-cyclopropylcarbamate?
The IUPAC name of tert-butyl N-[[(3S)-1-(2-aminoethyl)pyrrolidin-3-yl]methyl]-N-cyclopropylcarbamate (CID 96553589) is tert-butyl N-[[(3S)-1-(2-aminoethyl)pyrrolidin-3-yl]methyl]-N-cyclopropylcarbamate.
What is the SMILES notation for tert-butyl N-[[(3S)-1-(2-aminoethyl)pyrrolidin-3-yl]methyl]-N-cyclopropylcarbamate?
The canonical SMILES for tert-butyl N-[[(3S)-1-(2-aminoethyl)pyrrolidin-3-yl]methyl]-N-cyclopropylcarbamate is CC(C)(C)OC(=O)N(C[C@H]1CCN(CCN)C1)C1CC1.
What is the InChIKey of tert-butyl N-[[(3S)-1-(2-aminoethyl)pyrrolidin-3-yl]methyl]-N-cyclopropylcarbamate?
The InChIKey is XVJZCULGXLAITO-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-15(2,3)20-14(19)18(13-4-5-13)11-12-6-8-17(10-12)9-7-16/h12-13H,4-11,16H2,1-3H3/t12-/m0/s1.
What are the key properties of tert-butyl N-[[(3S)-1-(2-aminoethyl)pyrrolidin-3-yl]methyl]-N-cyclopropylcarbamate?
tert-butyl N-[[(3S)-1-(2-aminoethyl)pyrrolidin-3-yl]methyl]-N-cyclopropylcarbamate has a molecular weight of 283.42 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(3S)-1-(2-aminoethyl)pyrrolidin-3-yl]methyl]-N-cyclopropylcarbamate is sourced from PubChem (CID 96553589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).