benzyl 4-[[(2S)-2-aminopropanoyl]amino]piperidine-1-carboxylate

C16H23N3O3 — CID 66564858

IUPACbenzyl 4-[[(2S)-2-aminopropanoyl]amino]piperidine-1-carboxylate
SMILESC[C@H](N)C(=O)NC1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C16H23N3O3/c1-12(17)15(20)18-14-7-9-19(10-8-14)16(21)22-11-13-5-3-2-4-6-13/h2-6,12,14H,7-11,17H2,1H3,(H,18,20)/t12-/m0/s1
InChIKeyIUZHYJCOPAMWBY-LBPRGKRZSA-N
MW305.38 g/mol
LogP1.25
Rot. Bonds4

About benzyl 4-[[(2S)-2-aminopropanoyl]amino]piperidine-1-carboxylate

benzyl 4-[[(2S)-2-aminopropanoyl]amino]piperidine-1-carboxylate (PubChem CID 66564858) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is benzyl 4-[[(2S)-2-aminopropanoyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[[(2S)-2-aminopropanoyl]amino]piperidine-1-carboxylate
PubChem CID66564858
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Namebenzyl 4-[[(2S)-2-aminopropanoyl]amino]piperidine-1-carboxylate
SMILESC[C@H](N)C(=O)NC1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C16H23N3O3/c1-12(17)15(20)18-14-7-9-19(10-8-14)16(21)22-11-13-5-3-2-4-6-13/h2-6,12,14H,7-11,17H2,1H3,(H,18,20)/t12-/m0/s1
InChIKeyIUZHYJCOPAMWBY-LBPRGKRZSA-N
XLogP1.25
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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 4-(benzylamino)piperidine-1-carboxylate
CID 44828828
(2R)-2-amino-N-[1-(3-phenylpropanoyl)piperidin-4-yl]propanamide
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(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
benzyl 4-[[2-(2-methoxyethoxy)acetyl]amino]piperidine-1-carboxylate
CID 108562757
benzyl 4-[(1S)-1-(chloroamino)ethyl]piperidine-1-carboxylate
CID 126554184
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CID 66569243
benzyl 4-(furan-2-carbonylamino)piperidine-1-carboxylate
CID 110821844
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-(1-aminopropyl)piperidine-1-carboxylate
CID 154815286
benzyl 4-(2-methylbutan-2-yloxycarbonylamino)piperidine-1-carboxylate
CID 67159227
benzyl 4-[(2-methoxy-2-oxoethyl)amino]piperidine-1-carboxylate
CID 163554835
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CID 86674568

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[[(2S)-2-aminopropanoyl]amino]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[[(2S)-2-aminopropanoyl]amino]piperidine-1-carboxylate (CID 66564858) is benzyl 4-[[(2S)-2-aminopropanoyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[[(2S)-2-aminopropanoyl]amino]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[[(2S)-2-aminopropanoyl]amino]piperidine-1-carboxylate is C[C@H](N)C(=O)NC1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-[[(2S)-2-aminopropanoyl]amino]piperidine-1-carboxylate?
The InChIKey is IUZHYJCOPAMWBY-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-12(17)15(20)18-14-7-9-19(10-8-14)16(21)22-11-13-5-3-2-4-6-13/h2-6,12,14H,7-11,17H2,1H3,(H,18,20)/t12-/m0/s1.
What are the key properties of benzyl 4-[[(2S)-2-aminopropanoyl]amino]piperidine-1-carboxylate?
benzyl 4-[[(2S)-2-aminopropanoyl]amino]piperidine-1-carboxylate has a molecular weight of 305.38 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[[(2S)-2-aminopropanoyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 66564858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).