benzyl (2S)-2-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate

C16H23N3O3 — CID 96552602

IUPACbenzyl (2S)-2-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate
SMILESNCC(=O)NC[C@@H]1CCCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C16H23N3O3/c17-10-15(20)18-11-14-8-4-5-9-19(14)16(21)22-12-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12,17H2,(H,18,20)/t14-/m0/s1
InChIKeyUKBGMEYXUTXDNN-AWEZNQCLSA-N
MW305.38 g/mol
LogP1.25
Rot. Bonds5

About benzyl (2S)-2-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate

benzyl (2S)-2-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate (PubChem CID 96552602) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is benzyl (2S)-2-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-2-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate
PubChem CID96552602
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Namebenzyl (2S)-2-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate
SMILESNCC(=O)NC[C@@H]1CCCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C16H23N3O3/c17-10-15(20)18-11-14-8-4-5-9-19(14)16(21)22-12-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12,17H2,(H,18,20)/t14-/m0/s1
InChIKeyUKBGMEYXUTXDNN-AWEZNQCLSA-N
XLogP1.25
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (2S)-2-[[[(2S)-2-aminopropanoyl]amino]methyl]piperidine-1-carboxylate
CID 96552658
benzyl 2-[(2-aminopropanoylamino)methyl]piperidine-1-carboxylate
CID 77143732
benzyl (2R)-2-[(methylcarbamoylamino)methyl]pyrrolidine-1-carboxylate
CID 59006552
benzyl 2-(sulfanylmethyl)piperidine-1-carboxylate
CID 171314813
benzyl 2-(2-iodoethyl)piperidine-1-carboxylate
CID 138375665
benzyl 2-[[(2-aminoacetyl)-methylamino]methyl]piperidine-1-carboxylate
CID 66564799
benzyl 2-(acetyloxymethyl)piperidine-1-carboxylate
CID 23212404
3-amino-N-[[1-(4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide
CID 120579429
benzyl (2R)-2-[[(2R)-oxiran-2-yl]methyl]piperidine-1-carboxylate
CID 10956739
2-[(1-phenylmethoxycarbonylpiperidin-2-yl)methylsulfanyl]acetic acid
CID 66564501
benzyl (3R)-3-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate
CID 96552603
benzyl (2S)-2-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 86319274

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate?
The IUPAC name of benzyl (2S)-2-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate (CID 96552602) is benzyl (2S)-2-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl (2S)-2-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl (2S)-2-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate is NCC(=O)NC[C@@H]1CCCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2S)-2-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate?
The InChIKey is UKBGMEYXUTXDNN-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N3O3/c17-10-15(20)18-11-14-8-4-5-9-19(14)16(21)22-12-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12,17H2,(H,18,20)/t14-/m0/s1.
What are the key properties of benzyl (2S)-2-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate?
benzyl (2S)-2-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate has a molecular weight of 305.38 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 96552602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).