tert-butyl N-[[1-(2-aminopropanoyl)piperidin-2-yl]methyl]-N-cyclopropylcarbamate

C17H31N3O3 — CID 77143989

IUPACtert-butyl N-[[1-(2-aminopropanoyl)piperidin-2-yl]methyl]-N-cyclopropylcarbamate
SMILESCC(N)C(=O)N1CCCCC1CN(C(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C17H31N3O3/c1-12(18)15(21)19-10-6-5-7-14(19)11-20(13-8-9-13)16(22)23-17(2,3)4/h12-14H,5-11,18H2,1-4H3
InChIKeyHCILIKGUFDWUSQ-UHFFFAOYSA-N
MW325.45 g/mol
LogP2.11
Rot. Bonds4

About tert-butyl N-[[1-(2-aminopropanoyl)piperidin-2-yl]methyl]-N-cyclopropylcarbamate

tert-butyl N-[[1-(2-aminopropanoyl)piperidin-2-yl]methyl]-N-cyclopropylcarbamate (PubChem CID 77143989) has the molecular formula C17H31N3O3 and a molecular weight of 325.45 g/mol. Its IUPAC name is tert-butyl N-[[1-(2-aminopropanoyl)piperidin-2-yl]methyl]-N-cyclopropylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-(2-aminopropanoyl)piperidin-2-yl]methyl]-N-cyclopropylcarbamate
PubChem CID77143989
Molecular FormulaC17H31N3O3
Molecular Weight325.45 g/mol
Exact Mass325.24
IUPAC Nametert-butyl N-[[1-(2-aminopropanoyl)piperidin-2-yl]methyl]-N-cyclopropylcarbamate
SMILESCC(N)C(=O)N1CCCCC1CN(C(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C17H31N3O3/c1-12(18)15(21)19-10-6-5-7-14(19)11-20(13-8-9-13)16(22)23-17(2,3)4/h12-14H,5-11,18H2,1-4H3
InChIKeyHCILIKGUFDWUSQ-UHFFFAOYSA-N
XLogP2.11
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]methyl]-N-ethylcarbamate
CID 66566278
tert-butyl N-[[1-(2-amino-3-methylbutanoyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate
CID 77144003
tert-butyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]methyl]-N-methylcarbamate
CID 66566335
tert-butyl 2-[[[(2S)-2-aminopropanoyl]-propan-2-ylamino]methyl]piperidine-1-carboxylate
CID 66564130
tert-butyl N-[[1-(2-aminoacetyl)piperidin-2-yl]methyl]-N-propan-2-ylcarbamate
CID 66566227
2-[2-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrrolidin-1-yl]acetic acid
CID 66566450
tert-butyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]-N-cyclopropylcarbamate
CID 66566388
tert-butyl 2-(2-aminopropyl)piperidine-1-carboxylate
CID 79549369
2-[1-[(2S)-2-aminopropanoyl]piperidin-2-yl]acetamide;hydrochloride
CID 119307888
benzyl N-[[(2R)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]methyl]-N-methylcarbamate
CID 96554000
tert-butyl 2-(aminomethyl)azepane-1-carboxylate
CID 44607628
benzyl N-[[1-(2-aminopropanoyl)pyrrolidin-2-yl]methyl]-N-ethylcarbamate
CID 77144060

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-(2-aminopropanoyl)piperidin-2-yl]methyl]-N-cyclopropylcarbamate?
The IUPAC name of tert-butyl N-[[1-(2-aminopropanoyl)piperidin-2-yl]methyl]-N-cyclopropylcarbamate (CID 77143989) is tert-butyl N-[[1-(2-aminopropanoyl)piperidin-2-yl]methyl]-N-cyclopropylcarbamate.
What is the SMILES notation for tert-butyl N-[[1-(2-aminopropanoyl)piperidin-2-yl]methyl]-N-cyclopropylcarbamate?
The canonical SMILES for tert-butyl N-[[1-(2-aminopropanoyl)piperidin-2-yl]methyl]-N-cyclopropylcarbamate is CC(N)C(=O)N1CCCCC1CN(C(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of tert-butyl N-[[1-(2-aminopropanoyl)piperidin-2-yl]methyl]-N-cyclopropylcarbamate?
The InChIKey is HCILIKGUFDWUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O3/c1-12(18)15(21)19-10-6-5-7-14(19)11-20(13-8-9-13)16(22)23-17(2,3)4/h12-14H,5-11,18H2,1-4H3.
What are the key properties of tert-butyl N-[[1-(2-aminopropanoyl)piperidin-2-yl]methyl]-N-cyclopropylcarbamate?
tert-butyl N-[[1-(2-aminopropanoyl)piperidin-2-yl]methyl]-N-cyclopropylcarbamate has a molecular weight of 325.45 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-(2-aminopropanoyl)piperidin-2-yl]methyl]-N-cyclopropylcarbamate is sourced from PubChem (CID 77143989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).