benzyl N-[[(2R)-1-(2-aminoacetyl)piperidin-2-yl]methyl]-N-cyclopropylcarbamate

C19H27N3O3 — CID 96553990

IUPACbenzyl N-[[(2R)-1-(2-aminoacetyl)piperidin-2-yl]methyl]-N-cyclopropylcarbamate
SMILESNCC(=O)N1CCCC[C@@H]1CN(C(=O)OCc1ccccc1)C1CC1
InChIInChI=1S/C19H27N3O3/c20-12-18(23)21-11-5-4-8-17(21)13-22(16-9-10-16)19(24)25-14-15-6-2-1-3-7-15/h1-3,6-7,16-17H,4-5,8-14,20H2/t17-/m1/s1
InChIKeyHSCFMBFRWWORLG-QGZVFWFLSA-N
MW345.44 g/mol
LogP2.13
Rot. Bonds6

About benzyl N-[[(2R)-1-(2-aminoacetyl)piperidin-2-yl]methyl]-N-cyclopropylcarbamate

benzyl N-[[(2R)-1-(2-aminoacetyl)piperidin-2-yl]methyl]-N-cyclopropylcarbamate (PubChem CID 96553990) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is benzyl N-[[(2R)-1-(2-aminoacetyl)piperidin-2-yl]methyl]-N-cyclopropylcarbamate.

Molecular Properties

Compound Namebenzyl N-[[(2R)-1-(2-aminoacetyl)piperidin-2-yl]methyl]-N-cyclopropylcarbamate
PubChem CID96553990
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Namebenzyl N-[[(2R)-1-(2-aminoacetyl)piperidin-2-yl]methyl]-N-cyclopropylcarbamate
SMILESNCC(=O)N1CCCC[C@@H]1CN(C(=O)OCc1ccccc1)C1CC1
InChIInChI=1S/C19H27N3O3/c20-12-18(23)21-11-5-4-8-17(21)13-22(16-9-10-16)19(24)25-14-15-6-2-1-3-7-15/h1-3,6-7,16-17H,4-5,8-14,20H2/t17-/m1/s1
InChIKeyHSCFMBFRWWORLG-QGZVFWFLSA-N
XLogP2.13
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[[(3R)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylcarbamate
CID 96553991
benzyl N-[[(2S)-1-(2-chloroacetyl)piperidin-2-yl]methyl]-N-methylcarbamate
CID 96553932
2-amino-1-[2-[[benzyl(propan-2-yl)amino]methyl]piperidin-1-yl]ethanone
CID 66567140
benzyl (2R)-2-[[2-aminoethyl(cyclopropyl)amino]methyl]pyrrolidine-1-carboxylate
CID 96552351
benzyl N-[[1-(2-chloroacetyl)pyrrolidin-2-yl]methyl]-N-propan-2-ylcarbamate
CID 66566627
benzyl N-[1-(2-aminoacetyl)piperidin-4-yl]-N-ethylcarbamate
CID 66566688
benzyl 2-[[(2-aminoacetyl)-methylamino]methyl]piperidine-1-carboxylate
CID 66564799
benzyl (2S)-2-[[(2-aminoacetyl)-methylamino]methyl]pyrrolidine-1-carboxylate
CID 66564793
2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]ethanone
CID 83630061
benzyl (2S)-2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]pyrrolidine-1-carboxylate
CID 66564329
2-amino-1-[(2R)-2-[[cyclopropyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 96554850
benzyl N-[2-[(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]-2-oxoethyl]carbamate
CID 95044789

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[(2R)-1-(2-aminoacetyl)piperidin-2-yl]methyl]-N-cyclopropylcarbamate?
The IUPAC name of benzyl N-[[(2R)-1-(2-aminoacetyl)piperidin-2-yl]methyl]-N-cyclopropylcarbamate (CID 96553990) is benzyl N-[[(2R)-1-(2-aminoacetyl)piperidin-2-yl]methyl]-N-cyclopropylcarbamate.
What is the SMILES notation for benzyl N-[[(2R)-1-(2-aminoacetyl)piperidin-2-yl]methyl]-N-cyclopropylcarbamate?
The canonical SMILES for benzyl N-[[(2R)-1-(2-aminoacetyl)piperidin-2-yl]methyl]-N-cyclopropylcarbamate is NCC(=O)N1CCCC[C@@H]1CN(C(=O)OCc1ccccc1)C1CC1.
What is the InChIKey of benzyl N-[[(2R)-1-(2-aminoacetyl)piperidin-2-yl]methyl]-N-cyclopropylcarbamate?
The InChIKey is HSCFMBFRWWORLG-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H27N3O3/c20-12-18(23)21-11-5-4-8-17(21)13-22(16-9-10-16)19(24)25-14-15-6-2-1-3-7-15/h1-3,6-7,16-17H,4-5,8-14,20H2/t17-/m1/s1.
What are the key properties of benzyl N-[[(2R)-1-(2-aminoacetyl)piperidin-2-yl]methyl]-N-cyclopropylcarbamate?
benzyl N-[[(2R)-1-(2-aminoacetyl)piperidin-2-yl]methyl]-N-cyclopropylcarbamate has a molecular weight of 345.44 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[(2R)-1-(2-aminoacetyl)piperidin-2-yl]methyl]-N-cyclopropylcarbamate is sourced from PubChem (CID 96553990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).