tert-butyl (2R)-3-phenyl-2-[[(2S)-piperidine-2-carbonyl]amino]propanoate

C19H28N2O3 — CID 10314727

IUPACtert-butyl (2R)-3-phenyl-2-[[(2S)-piperidine-2-carbonyl]amino]propanoate
SMILESCC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1
InChIInChI=1S/C19H28N2O3/c1-19(2,3)24-18(23)16(13-14-9-5-4-6-10-14)21-17(22)15-11-7-8-12-20-15/h4-6,9-10,15-16,20H,7-8,11-13H2,1-3H3,(H,21,22)/t15-,16+/m0/s1
InChIKeyHQKNKLSPUROYFC-JKSUJKDBSA-N
MW332.44 g/mol
LogP2.20
Rot. Bonds5

About tert-butyl (2R)-3-phenyl-2-[[(2S)-piperidine-2-carbonyl]amino]propanoate

tert-butyl (2R)-3-phenyl-2-[[(2S)-piperidine-2-carbonyl]amino]propanoate (PubChem CID 10314727) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is tert-butyl (2R)-3-phenyl-2-[[(2S)-piperidine-2-carbonyl]amino]propanoate.

Molecular Properties

Compound Nametert-butyl (2R)-3-phenyl-2-[[(2S)-piperidine-2-carbonyl]amino]propanoate
PubChem CID10314727
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Nametert-butyl (2R)-3-phenyl-2-[[(2S)-piperidine-2-carbonyl]amino]propanoate
SMILESCC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1
InChIInChI=1S/C19H28N2O3/c1-19(2,3)24-18(23)16(13-14-9-5-4-6-10-14)21-17(22)15-11-7-8-12-20-15/h4-6,9-10,15-16,20H,7-8,11-13H2,1-3H3,(H,21,22)/t15-,16+/m0/s1
InChIKeyHQKNKLSPUROYFC-JKSUJKDBSA-N
XLogP2.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2R)-3-phenyl-2-[[(2S)-piperidine-2-carbonyl]amino]propanoate with MolForge

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Related Compounds

methyl 3-phenyl-2-(piperidine-2-carbonylamino)propanoate;hydrochloride
CID 119290974
tert-butyl (2S)-3-methyl-2-[[(2S)-3-phenyl-2-[[(2S)-piperidine-2-carbonyl]amino]propanoyl]amino]pentanoate
CID 10366250
tert-butyl 2-[[(2R)-3-phenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]acetate
CID 10643197
(3S)-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxo-3-[[(2R)-pyrrolidine-2-carbonyl]amino]butanoic acid
CID 14151468
3-phenyl-2-[[3-phenyl-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]propanoic acid
CID 18223664
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]piperidine-2-carboxamide
CID 107860896
3-(4-hydroxyphenyl)-2-[[(2S)-piperidine-2-carbonyl]amino]propanoic acid
CID 103870775
(2S)-4-phenyl-2-(piperidine-2-carbonylamino)butanoic acid
CID 104983399
tert-butyl 2-acetamido-3-phenylpropanoate
CID 70959830
3-methyl-2-[[3-phenyl-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]pentanoic acid
CID 18223662
2-[[3-phenyl-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]acetic acid
CID 23318222
tert-butyl (2S)-3-phenyl-2-(2-phenylethylcarbamoylamino)propanoate
CID 71507126

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-3-phenyl-2-[[(2S)-piperidine-2-carbonyl]amino]propanoate?
The IUPAC name of tert-butyl (2R)-3-phenyl-2-[[(2S)-piperidine-2-carbonyl]amino]propanoate (CID 10314727) is tert-butyl (2R)-3-phenyl-2-[[(2S)-piperidine-2-carbonyl]amino]propanoate.
What is the SMILES notation for tert-butyl (2R)-3-phenyl-2-[[(2S)-piperidine-2-carbonyl]amino]propanoate?
The canonical SMILES for tert-butyl (2R)-3-phenyl-2-[[(2S)-piperidine-2-carbonyl]amino]propanoate is CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1.
What is the InChIKey of tert-butyl (2R)-3-phenyl-2-[[(2S)-piperidine-2-carbonyl]amino]propanoate?
The InChIKey is HQKNKLSPUROYFC-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-19(2,3)24-18(23)16(13-14-9-5-4-6-10-14)21-17(22)15-11-7-8-12-20-15/h4-6,9-10,15-16,20H,7-8,11-13H2,1-3H3,(H,21,22)/t15-,16+/m0/s1.
What are the key properties of tert-butyl (2R)-3-phenyl-2-[[(2S)-piperidine-2-carbonyl]amino]propanoate?
tert-butyl (2R)-3-phenyl-2-[[(2S)-piperidine-2-carbonyl]amino]propanoate has a molecular weight of 332.44 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-3-phenyl-2-[[(2S)-piperidine-2-carbonyl]amino]propanoate is sourced from PubChem (CID 10314727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).