(2R)-2-[[1-[[(2S)-3-ethoxy-3-oxo-2-phenylmethoxypropyl]carbamoyl]cyclopentyl]methyl]-3-(2-methoxyethoxy)propanoic acid

C25H37NO8 — CID 18659104

IUPAC(2R)-2-[[1-[[(2S)-3-ethoxy-3-oxo-2-phenylmethoxypropyl]carbamoyl]cyclopentyl]methyl]-3-(2-methoxyethoxy)propanoic acid
SMILESCCOC(=O)[C@H](CNC(=O)C1(C[C@H](COCCOC)C(=O)O)CCCC1)OCc1ccccc1
InChIInChI=1S/C25H37NO8/c1-3-33-23(29)21(34-17-19-9-5-4-6-10-19)16-26-24(30)25(11-7-8-12-25)15-20(22(27)28)18-32-14-13-31-2/h4-6,9-10,20-21H,3,7-8,11-18H2,1-2H3,(H,26,30)(H,27,28)/t20-,21+/m1/s1
InChIKeyQHYUGVIOJFVVTM-RTWAWAEBSA-N
MW479.57 g/mol
LogP2.57
Rot. Bonds16

About (2R)-2-[[1-[[(2S)-3-ethoxy-3-oxo-2-phenylmethoxypropyl]carbamoyl]cyclopentyl]methyl]-3-(2-methoxyethoxy)propanoic acid

(2R)-2-[[1-[[(2S)-3-ethoxy-3-oxo-2-phenylmethoxypropyl]carbamoyl]cyclopentyl]methyl]-3-(2-methoxyethoxy)propanoic acid (PubChem CID 18659104) has the molecular formula C25H37NO8 and a molecular weight of 479.57 g/mol. Its IUPAC name is (2R)-2-[[1-[[(2S)-3-ethoxy-3-oxo-2-phenylmethoxypropyl]carbamoyl]cyclopentyl]methyl]-3-(2-methoxyethoxy)propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[1-[[(2S)-3-ethoxy-3-oxo-2-phenylmethoxypropyl]carbamoyl]cyclopentyl]methyl]-3-(2-methoxyethoxy)propanoic acid
PubChem CID18659104
Molecular FormulaC25H37NO8
Molecular Weight479.57 g/mol
Exact Mass479.25
IUPAC Name(2R)-2-[[1-[[(2S)-3-ethoxy-3-oxo-2-phenylmethoxypropyl]carbamoyl]cyclopentyl]methyl]-3-(2-methoxyethoxy)propanoic acid
SMILESCCOC(=O)[C@H](CNC(=O)C1(C[C@H](COCCOC)C(=O)O)CCCC1)OCc1ccccc1
InChIInChI=1S/C25H37NO8/c1-3-33-23(29)21(34-17-19-9-5-4-6-10-19)16-26-24(30)25(11-7-8-12-25)15-20(22(27)28)18-32-14-13-31-2/h4-6,9-10,20-21H,3,7-8,11-18H2,1-2H3,(H,26,30)(H,27,28)/t20-,21+/m1/s1
InChIKeyQHYUGVIOJFVVTM-RTWAWAEBSA-N
XLogP2.57
TPSA120.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.57
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[(1-phenylmethoxycarbonylcyclopentyl)methyl]pentanoic acid
CID 59892210
4-ethoxy-2-[[1-[(4-phenylmethoxycarbonylcyclohexyl)carbamoyl]cyclopentyl]methyl]butanoic acid
CID 19775811
2-[[1-[[(1S,3R)-3-ethoxycarbonylcyclohexyl]carbamoyl]cyclopentyl]methyl]-6-phenylmethoxyhexanoic acid
CID 67858011
2-[[1-[[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxycarbonyl]cyclohexyl]carbamoyl]cyclopentyl]methyl]-3-(2-methoxyethoxy)propanoic acid
CID 67924902
(2R)-2-[[1-[[(2R)-1-[(4-chlorophenyl)methoxy]-4-ethoxy-4-oxobutan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid
CID 58633527
(2R)-2-[[1-[[(2R)-1-carboxy-3-[(4-chlorophenyl)methoxy]propan-2-yl]carbamoyl]cyclopentyl]methyl]-4-methoxybutanoic acid
CID 135746096
2-[(4-methoxyphenyl)methyl]-3-[[1-(2-oxo-2-phenylmethoxyethyl)cyclopentanecarbonyl]amino]propanoic acid
CID 141332203
N-(2-methylpropyl)-1-(phenylmethoxymethyl)cyclohexane-1-carboxamide
CID 146227837
2-(methoxymethyl)-3-[1-[(2-phenylcyclopropyl)carbamoyl]cyclopentyl]propanoic acid
CID 70094822
(2S)-2-[[1-[2-carboxy-3-(2-methoxyethoxy)propyl]cyclopentanecarbonyl]amino]-4-methylsulfanylbutanoic acid
CID 54562906
(1-acetylcyclohexa-2,4-dien-1-yl) 1-[2-(2-methoxyethoxymethyl)-3-oxo-3-phenylmethoxypropyl]cyclopentane-1-carboxylate
CID 67858166
2-[[1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid
CID 11682031

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[1-[[(2S)-3-ethoxy-3-oxo-2-phenylmethoxypropyl]carbamoyl]cyclopentyl]methyl]-3-(2-methoxyethoxy)propanoic acid?
The IUPAC name of (2R)-2-[[1-[[(2S)-3-ethoxy-3-oxo-2-phenylmethoxypropyl]carbamoyl]cyclopentyl]methyl]-3-(2-methoxyethoxy)propanoic acid (CID 18659104) is (2R)-2-[[1-[[(2S)-3-ethoxy-3-oxo-2-phenylmethoxypropyl]carbamoyl]cyclopentyl]methyl]-3-(2-methoxyethoxy)propanoic acid.
What is the SMILES notation for (2R)-2-[[1-[[(2S)-3-ethoxy-3-oxo-2-phenylmethoxypropyl]carbamoyl]cyclopentyl]methyl]-3-(2-methoxyethoxy)propanoic acid?
The canonical SMILES for (2R)-2-[[1-[[(2S)-3-ethoxy-3-oxo-2-phenylmethoxypropyl]carbamoyl]cyclopentyl]methyl]-3-(2-methoxyethoxy)propanoic acid is CCOC(=O)[C@H](CNC(=O)C1(C[C@H](COCCOC)C(=O)O)CCCC1)OCc1ccccc1.
What is the InChIKey of (2R)-2-[[1-[[(2S)-3-ethoxy-3-oxo-2-phenylmethoxypropyl]carbamoyl]cyclopentyl]methyl]-3-(2-methoxyethoxy)propanoic acid?
The InChIKey is QHYUGVIOJFVVTM-RTWAWAEBSA-N. The full InChI is InChI=1S/C25H37NO8/c1-3-33-23(29)21(34-17-19-9-5-4-6-10-19)16-26-24(30)25(11-7-8-12-25)15-20(22(27)28)18-32-14-13-31-2/h4-6,9-10,20-21H,3,7-8,11-18H2,1-2H3,(H,26,30)(H,27,28)/t20-,21+/m1/s1.
What are the key properties of (2R)-2-[[1-[[(2S)-3-ethoxy-3-oxo-2-phenylmethoxypropyl]carbamoyl]cyclopentyl]methyl]-3-(2-methoxyethoxy)propanoic acid?
(2R)-2-[[1-[[(2S)-3-ethoxy-3-oxo-2-phenylmethoxypropyl]carbamoyl]cyclopentyl]methyl]-3-(2-methoxyethoxy)propanoic acid has a molecular weight of 479.57 g/mol, XLogP of 2.57, 16 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[1-[[(2S)-3-ethoxy-3-oxo-2-phenylmethoxypropyl]carbamoyl]cyclopentyl]methyl]-3-(2-methoxyethoxy)propanoic acid is sourced from PubChem (CID 18659104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).