2-(methoxymethyl)-3-[1-[(2-phenylcyclopropyl)carbamoyl]cyclopentyl]propanoic acid

C20H27NO4 — CID 70094822

IUPAC2-(methoxymethyl)-3-[1-[(2-phenylcyclopropyl)carbamoyl]cyclopentyl]propanoic acid
SMILESCOCC(CC1(C(=O)NC2CC2c2ccccc2)CCCC1)C(=O)O
InChIInChI=1S/C20H27NO4/c1-25-13-15(18(22)23)12-20(9-5-6-10-20)19(24)21-17-11-16(17)14-7-3-2-4-8-14/h2-4,7-8,15-17H,5-6,9-13H2,1H3,(H,21,24)(H,22,23)
InChIKeyDHMUQACZSVHGMT-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.96
Rot. Bonds8

About 2-(methoxymethyl)-3-[1-[(2-phenylcyclopropyl)carbamoyl]cyclopentyl]propanoic acid

2-(methoxymethyl)-3-[1-[(2-phenylcyclopropyl)carbamoyl]cyclopentyl]propanoic acid (PubChem CID 70094822) has the molecular formula C20H27NO4 and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-(methoxymethyl)-3-[1-[(2-phenylcyclopropyl)carbamoyl]cyclopentyl]propanoic acid.

Molecular Properties

Compound Name2-(methoxymethyl)-3-[1-[(2-phenylcyclopropyl)carbamoyl]cyclopentyl]propanoic acid
PubChem CID70094822
Molecular FormulaC20H27NO4
Molecular Weight345.44 g/mol
Exact Mass345.19
IUPAC Name2-(methoxymethyl)-3-[1-[(2-phenylcyclopropyl)carbamoyl]cyclopentyl]propanoic acid
SMILESCOCC(CC1(C(=O)NC2CC2c2ccccc2)CCCC1)C(=O)O
InChIInChI=1S/C20H27NO4/c1-25-13-15(18(22)23)12-20(9-5-6-10-20)19(24)21-17-11-16(17)14-7-3-2-4-8-14/h2-4,7-8,15-17H,5-6,9-13H2,1H3,(H,21,24)(H,22,23)
InChIKeyDHMUQACZSVHGMT-UHFFFAOYSA-N
XLogP2.96
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-3-[1-[(2-phenylcyclopropyl)carbamoyl]cyclopentyl]propanoic acid?
The IUPAC name of 2-(methoxymethyl)-3-[1-[(2-phenylcyclopropyl)carbamoyl]cyclopentyl]propanoic acid (CID 70094822) is 2-(methoxymethyl)-3-[1-[(2-phenylcyclopropyl)carbamoyl]cyclopentyl]propanoic acid.
What is the SMILES notation for 2-(methoxymethyl)-3-[1-[(2-phenylcyclopropyl)carbamoyl]cyclopentyl]propanoic acid?
The canonical SMILES for 2-(methoxymethyl)-3-[1-[(2-phenylcyclopropyl)carbamoyl]cyclopentyl]propanoic acid is COCC(CC1(C(=O)NC2CC2c2ccccc2)CCCC1)C(=O)O.
What is the InChIKey of 2-(methoxymethyl)-3-[1-[(2-phenylcyclopropyl)carbamoyl]cyclopentyl]propanoic acid?
The InChIKey is DHMUQACZSVHGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO4/c1-25-13-15(18(22)23)12-20(9-5-6-10-20)19(24)21-17-11-16(17)14-7-3-2-4-8-14/h2-4,7-8,15-17H,5-6,9-13H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-(methoxymethyl)-3-[1-[(2-phenylcyclopropyl)carbamoyl]cyclopentyl]propanoic acid?
2-(methoxymethyl)-3-[1-[(2-phenylcyclopropyl)carbamoyl]cyclopentyl]propanoic acid has a molecular weight of 345.44 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-3-[1-[(2-phenylcyclopropyl)carbamoyl]cyclopentyl]propanoic acid is sourced from PubChem (CID 70094822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).