2-[[1-(cyclopentanecarbonyl)piperidine-4-carbonyl]-[(2-methoxyphenyl)methyl]amino]acetic acid

C22H30N2O5 — CID 72881075

IUPAC2-[[1-(cyclopentanecarbonyl)piperidine-4-carbonyl]-[(2-methoxyphenyl)methyl]amino]acetic acid
SMILESCOc1ccccc1CN(CC(=O)O)C(=O)C1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C22H30N2O5/c1-29-19-9-5-4-8-18(19)14-24(15-20(25)26)22(28)17-10-12-23(13-11-17)21(27)16-6-2-3-7-16/h4-5,8-9,16-17H,2-3,6-7,10-15H2,1H3,(H,25,26)
InChIKeyFLQWYTXRNGNEQF-UHFFFAOYSA-N
MW402.49 g/mol
LogP2.54
Rot. Bonds7

About 2-[[1-(cyclopentanecarbonyl)piperidine-4-carbonyl]-[(2-methoxyphenyl)methyl]amino]acetic acid

2-[[1-(cyclopentanecarbonyl)piperidine-4-carbonyl]-[(2-methoxyphenyl)methyl]amino]acetic acid (PubChem CID 72881075) has the molecular formula C22H30N2O5 and a molecular weight of 402.49 g/mol. Its IUPAC name is 2-[[1-(cyclopentanecarbonyl)piperidine-4-carbonyl]-[(2-methoxyphenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(cyclopentanecarbonyl)piperidine-4-carbonyl]-[(2-methoxyphenyl)methyl]amino]acetic acid
PubChem CID72881075
Molecular FormulaC22H30N2O5
Molecular Weight402.49 g/mol
Exact Mass402.22
IUPAC Name2-[[1-(cyclopentanecarbonyl)piperidine-4-carbonyl]-[(2-methoxyphenyl)methyl]amino]acetic acid
SMILESCOc1ccccc1CN(CC(=O)O)C(=O)C1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C22H30N2O5/c1-29-19-9-5-4-8-18(19)14-24(15-20(25)26)22(28)17-10-12-23(13-11-17)21(27)16-6-2-3-7-16/h4-5,8-9,16-17H,2-3,6-7,10-15H2,1H3,(H,25,26)
InChIKeyFLQWYTXRNGNEQF-UHFFFAOYSA-N
XLogP2.54
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[1-(cyclopentanecarbonyl)piperidine-4-carbonyl]-[(2-methoxyphenyl)methyl]amino]acetic acid with MolForge

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Related Compounds

cyclopentyl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398973
N-[(2-methoxyphenyl)methyl]-1-(pyrrolidine-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 55757691
2-[acetyl-[(2-methoxyphenyl)methyl]amino]acetic acid
CID 82044282
2-[[(1R,4S,5S)-4-hydroxy-5-(4-propan-2-ylanilino)cycloheptanecarbonyl]-[(2-methoxyphenyl)methyl]amino]acetic acid
CID 110161292
1-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]-2-(2-methoxyphenyl)ethanone
CID 110799375
2-[benzyl-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]acetic acid
CID 119196915
(4-ethylpiperazin-1-yl)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid
CID 163328426
4-[4-[(2-methoxyphenyl)methoxy]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674625
2-[(1-acetylpiperidine-4-carbonyl)-(2-phenylethyl)amino]acetic acid
CID 119347235
cyclopentyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4084330
cyclopentyl-[(3S)-3-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]pyrrolidin-1-yl]methanone
CID 97323731
cyclopentyl-[(3S)-3-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]amino]pyrrolidin-1-yl]methanone
CID 97323732

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(cyclopentanecarbonyl)piperidine-4-carbonyl]-[(2-methoxyphenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[[1-(cyclopentanecarbonyl)piperidine-4-carbonyl]-[(2-methoxyphenyl)methyl]amino]acetic acid (CID 72881075) is 2-[[1-(cyclopentanecarbonyl)piperidine-4-carbonyl]-[(2-methoxyphenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[[1-(cyclopentanecarbonyl)piperidine-4-carbonyl]-[(2-methoxyphenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[[1-(cyclopentanecarbonyl)piperidine-4-carbonyl]-[(2-methoxyphenyl)methyl]amino]acetic acid is COc1ccccc1CN(CC(=O)O)C(=O)C1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of 2-[[1-(cyclopentanecarbonyl)piperidine-4-carbonyl]-[(2-methoxyphenyl)methyl]amino]acetic acid?
The InChIKey is FLQWYTXRNGNEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O5/c1-29-19-9-5-4-8-18(19)14-24(15-20(25)26)22(28)17-10-12-23(13-11-17)21(27)16-6-2-3-7-16/h4-5,8-9,16-17H,2-3,6-7,10-15H2,1H3,(H,25,26).
What are the key properties of 2-[[1-(cyclopentanecarbonyl)piperidine-4-carbonyl]-[(2-methoxyphenyl)methyl]amino]acetic acid?
2-[[1-(cyclopentanecarbonyl)piperidine-4-carbonyl]-[(2-methoxyphenyl)methyl]amino]acetic acid has a molecular weight of 402.49 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(cyclopentanecarbonyl)piperidine-4-carbonyl]-[(2-methoxyphenyl)methyl]amino]acetic acid is sourced from PubChem (CID 72881075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).