benzyl N-[[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]-N-ethylcarbamate

C19H29N3O3 — CID 96554011

IUPACbenzyl N-[[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]-N-ethylcarbamate
SMILESCCN(C[C@H]1CCCN(C(=O)[C@H](C)N)C1)C(=O)OCc1ccccc1
InChIInChI=1S/C19H29N3O3/c1-3-21(19(24)25-14-16-8-5-4-6-9-16)12-17-10-7-11-22(13-17)18(23)15(2)20/h4-6,8-9,15,17H,3,7,10-14,20H2,1-2H3/t15-,17+/m0/s1
InChIKeyFETDHNUSBJNWSG-DOTOQJQBSA-N
MW347.46 g/mol
LogP2.23
Rot. Bonds6

About benzyl N-[[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]-N-ethylcarbamate

benzyl N-[[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]-N-ethylcarbamate (PubChem CID 96554011) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is benzyl N-[[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]-N-ethylcarbamate.

Molecular Properties

Compound Namebenzyl N-[[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]-N-ethylcarbamate
PubChem CID96554011
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Namebenzyl N-[[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]-N-ethylcarbamate
SMILESCCN(C[C@H]1CCCN(C(=O)[C@H](C)N)C1)C(=O)OCc1ccccc1
InChIInChI=1S/C19H29N3O3/c1-3-21(19(24)25-14-16-8-5-4-6-9-16)12-17-10-7-11-22(13-17)18(23)15(2)20/h4-6,8-9,15,17H,3,7,10-14,20H2,1-2H3/t15-,17+/m0/s1
InChIKeyFETDHNUSBJNWSG-DOTOQJQBSA-N
XLogP2.23
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[[1-[(2S)-2-aminopropanoyl]pyrrolidin-3-yl]methyl]-N-ethylcarbamate
CID 66566754
benzyl N-[[1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-ethylcarbamate
CID 66566689
benzyl N-[(3R)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]-N-ethylcarbamate
CID 66566756
benzyl N-[1-(2-aminopropanoyl)piperidin-3-yl]-N-cyclopropylcarbamate
CID 77144080
benzyl N-[[1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]methyl]-N-ethylcarbamate
CID 66566751
benzyl N-[[(3R)-1-[(2S)-2-aminopropanoyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 96554022
benzyl N-[[1-(2-aminopropanoyl)pyrrolidin-2-yl]methyl]-N-ethylcarbamate
CID 77144060
benzyl N-[[1-(2-amino-3-methylbutanoyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 77144118
benzyl N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 96553985
benzyl N-[1-(2-aminopropanoyl)pyrrolidin-3-yl]-N-propan-2-ylcarbamate
CID 77144068
benzyl 3-[[(2-amino-3-methylbutanoyl)-ethylamino]methyl]pyrrolidine-1-carboxylate
CID 77143799
benzyl N-[1-(2-aminopropanoyl)piperidin-3-yl]carbamate
CID 77144045

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]-N-ethylcarbamate?
The IUPAC name of benzyl N-[[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]-N-ethylcarbamate (CID 96554011) is benzyl N-[[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]-N-ethylcarbamate.
What is the SMILES notation for benzyl N-[[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]-N-ethylcarbamate?
The canonical SMILES for benzyl N-[[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]-N-ethylcarbamate is CCN(C[C@H]1CCCN(C(=O)[C@H](C)N)C1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]-N-ethylcarbamate?
The InChIKey is FETDHNUSBJNWSG-DOTOQJQBSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-3-21(19(24)25-14-16-8-5-4-6-9-16)12-17-10-7-11-22(13-17)18(23)15(2)20/h4-6,8-9,15,17H,3,7,10-14,20H2,1-2H3/t15-,17+/m0/s1.
What are the key properties of benzyl N-[[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]-N-ethylcarbamate?
benzyl N-[[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]-N-ethylcarbamate has a molecular weight of 347.46 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]-N-ethylcarbamate is sourced from PubChem (CID 96554011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).