(2R)-1-[(3S)-3-acetamido-3-(2-ethoxyphenyl)propanoyl]piperidine-2-carboxylic acid

C19H26N2O5 — CID 129467398

IUPAC(2R)-1-[(3S)-3-acetamido-3-(2-ethoxyphenyl)propanoyl]piperidine-2-carboxylic acid
SMILESCCOc1ccccc1[C@H](CC(=O)N1CCCC[C@@H]1C(=O)O)NC(C)=O
InChIInChI=1S/C19H26N2O5/c1-3-26-17-10-5-4-8-14(17)15(20-13(2)22)12-18(23)21-11-7-6-9-16(21)19(24)25/h4-5,8,10,15-16H,3,6-7,9,11-12H2,1-2H3,(H,20,22)(H,24,25)/t15-,16+/m0/s1
InChIKeySWQJDIWIUMZTJV-JKSUJKDBSA-N
MW362.43 g/mol
LogP2.12
Rot. Bonds7

About (2R)-1-[(3S)-3-acetamido-3-(2-ethoxyphenyl)propanoyl]piperidine-2-carboxylic acid

(2R)-1-[(3S)-3-acetamido-3-(2-ethoxyphenyl)propanoyl]piperidine-2-carboxylic acid (PubChem CID 129467398) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is (2R)-1-[(3S)-3-acetamido-3-(2-ethoxyphenyl)propanoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(3S)-3-acetamido-3-(2-ethoxyphenyl)propanoyl]piperidine-2-carboxylic acid
PubChem CID129467398
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Name(2R)-1-[(3S)-3-acetamido-3-(2-ethoxyphenyl)propanoyl]piperidine-2-carboxylic acid
SMILESCCOc1ccccc1[C@H](CC(=O)N1CCCC[C@@H]1C(=O)O)NC(C)=O
InChIInChI=1S/C19H26N2O5/c1-3-26-17-10-5-4-8-14(17)15(20-13(2)22)12-18(23)21-11-7-6-9-16(21)19(24)25/h4-5,8,10,15-16H,3,6-7,9,11-12H2,1-2H3,(H,20,22)(H,24,25)/t15-,16+/m0/s1
InChIKeySWQJDIWIUMZTJV-JKSUJKDBSA-N
XLogP2.12
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(2-ethoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]acetamide
CID 95282390
N-[1-(2-ethoxyphenyl)-3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide
CID 119489700
(2S)-1-[3-(2-ethoxyphenyl)propanoyl]piperidine-2-carboxylic acid
CID 124683442
(2S)-1-[3-acetamido-3-(4-chlorophenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119365109
(2R)-1-[3-acetamido-3-(4-bromophenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119371259
N-[3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1-(2-ethoxyphenyl)-3-oxopropyl]acetamide;hydrochloride
CID 120659450
(2R)-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 28819596
(2S)-1-[(3R)-3-(2-fluorophenyl)butanoyl]piperidine-2-carboxylic acid
CID 99639914
1-[1-(2-ethoxyphenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 3646921
N-[3-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]acetamide
CID 78814395
3-[[3-acetamido-3-(2-ethoxyphenyl)propanoyl]amino]-2,2-dimethylpropanoic acid
CID 119250389
3-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-ethoxyphenyl)propanamide
CID 119456660

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3S)-3-acetamido-3-(2-ethoxyphenyl)propanoyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(3S)-3-acetamido-3-(2-ethoxyphenyl)propanoyl]piperidine-2-carboxylic acid (CID 129467398) is (2R)-1-[(3S)-3-acetamido-3-(2-ethoxyphenyl)propanoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(3S)-3-acetamido-3-(2-ethoxyphenyl)propanoyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(3S)-3-acetamido-3-(2-ethoxyphenyl)propanoyl]piperidine-2-carboxylic acid is CCOc1ccccc1[C@H](CC(=O)N1CCCC[C@@H]1C(=O)O)NC(C)=O.
What is the InChIKey of (2R)-1-[(3S)-3-acetamido-3-(2-ethoxyphenyl)propanoyl]piperidine-2-carboxylic acid?
The InChIKey is SWQJDIWIUMZTJV-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-3-26-17-10-5-4-8-14(17)15(20-13(2)22)12-18(23)21-11-7-6-9-16(21)19(24)25/h4-5,8,10,15-16H,3,6-7,9,11-12H2,1-2H3,(H,20,22)(H,24,25)/t15-,16+/m0/s1.
What are the key properties of (2R)-1-[(3S)-3-acetamido-3-(2-ethoxyphenyl)propanoyl]piperidine-2-carboxylic acid?
(2R)-1-[(3S)-3-acetamido-3-(2-ethoxyphenyl)propanoyl]piperidine-2-carboxylic acid has a molecular weight of 362.43 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3S)-3-acetamido-3-(2-ethoxyphenyl)propanoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 129467398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).