(2S)-2-(4-aminopiperidine-1-carbonyl)oxy-3-phenylpropanoic acid

C15H20N2O4 — CID 70049553

IUPAC(2S)-2-(4-aminopiperidine-1-carbonyl)oxy-3-phenylpropanoic acid
SMILESNC1CCN(C(=O)O[C@@H](Cc2ccccc2)C(=O)O)CC1
InChIInChI=1S/C15H20N2O4/c16-12-6-8-17(9-7-12)15(20)21-13(14(18)19)10-11-4-2-1-3-5-11/h1-5,12-13H,6-10,16H2,(H,18,19)/t13-/m0/s1
InChIKeyOMDIFRRJOLRDRH-ZDUSSCGKSA-N
MW292.33 g/mol
LogP1.24
Rot. Bonds4

About (2S)-2-(4-aminopiperidine-1-carbonyl)oxy-3-phenylpropanoic acid

(2S)-2-(4-aminopiperidine-1-carbonyl)oxy-3-phenylpropanoic acid (PubChem CID 70049553) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is (2S)-2-(4-aminopiperidine-1-carbonyl)oxy-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-(4-aminopiperidine-1-carbonyl)oxy-3-phenylpropanoic acid
PubChem CID70049553
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name(2S)-2-(4-aminopiperidine-1-carbonyl)oxy-3-phenylpropanoic acid
SMILESNC1CCN(C(=O)O[C@@H](Cc2ccccc2)C(=O)O)CC1
InChIInChI=1S/C15H20N2O4/c16-12-6-8-17(9-7-12)15(20)21-13(14(18)19)10-11-4-2-1-3-5-11/h1-5,12-13H,6-10,16H2,(H,18,19)/t13-/m0/s1
InChIKeyOMDIFRRJOLRDRH-ZDUSSCGKSA-N
XLogP1.24
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-3-oxopiperazine-1-carbonyl)oxy-3-phenylpropanoic acid
CID 19753935
(2S)-2-(2-acetyldiazinane-1-carbonyl)oxy-3-phenylpropanoic acid
CID 18638843
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
1-chloropropan-2-yl 4-benzylpiperidine-1-carboxylate
CID 154187769
tert-butyl 4-aminopiperidine-1-carboxylate;2-phenylethanol
CID 142239984
(2S)-2-aminooxy-3-phenylpropanoic acid
CID 15582761
2-(1-carboxy-2-phenylethoxy)-3-phenylpropanoic acid
CID 142766053
2-[2-(3-methyl-2-oxobutanoyl)pyrazolidine-1-carbonyl]oxy-3-phenylpropanoic acid
CID 19753824
1,1,1,3,3,3-hexafluoropropan-2-yl 4-benzylpiperidine-1-carboxylate
CID 89480931
2-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carbonyl]oxy-3-phenylpropanoic acid
CID 174237370
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
N-[1-(4-aminopiperidin-1-yl)-1-oxopentan-2-yl]-2-phenylacetamide
CID 119373638

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-aminopiperidine-1-carbonyl)oxy-3-phenylpropanoic acid?
The IUPAC name of (2S)-2-(4-aminopiperidine-1-carbonyl)oxy-3-phenylpropanoic acid (CID 70049553) is (2S)-2-(4-aminopiperidine-1-carbonyl)oxy-3-phenylpropanoic acid.
What is the SMILES notation for (2S)-2-(4-aminopiperidine-1-carbonyl)oxy-3-phenylpropanoic acid?
The canonical SMILES for (2S)-2-(4-aminopiperidine-1-carbonyl)oxy-3-phenylpropanoic acid is NC1CCN(C(=O)O[C@@H](Cc2ccccc2)C(=O)O)CC1.
What is the InChIKey of (2S)-2-(4-aminopiperidine-1-carbonyl)oxy-3-phenylpropanoic acid?
The InChIKey is OMDIFRRJOLRDRH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N2O4/c16-12-6-8-17(9-7-12)15(20)21-13(14(18)19)10-11-4-2-1-3-5-11/h1-5,12-13H,6-10,16H2,(H,18,19)/t13-/m0/s1.
What are the key properties of (2S)-2-(4-aminopiperidine-1-carbonyl)oxy-3-phenylpropanoic acid?
(2S)-2-(4-aminopiperidine-1-carbonyl)oxy-3-phenylpropanoic acid has a molecular weight of 292.33 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-aminopiperidine-1-carbonyl)oxy-3-phenylpropanoic acid is sourced from PubChem (CID 70049553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).