2-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexyl]acetic acid

C15H25NO4 — CID 107214338

IUPAC2-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CC(=O)N2CCC[C@@H]2CO)CCCCC1
InChIInChI=1S/C15H25NO4/c17-11-12-5-4-8-16(12)13(18)9-15(10-14(19)20)6-2-1-3-7-15/h12,17H,1-11H2,(H,19,20)/t12-/m1/s1
InChIKeyOKJCMWYYQBJJRW-GFCCVEGCSA-N
MW283.37 g/mol
LogP1.78
Rot. Bonds5

About 2-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexyl]acetic acid

2-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexyl]acetic acid (PubChem CID 107214338) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexyl]acetic acid
PubChem CID107214338
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name2-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CC(=O)N2CCC[C@@H]2CO)CCCCC1
InChIInChI=1S/C15H25NO4/c17-11-12-5-4-8-16(12)13(18)9-15(10-14(19)20)6-2-1-3-7-15/h12,17H,1-11H2,(H,19,20)/t12-/m1/s1
InChIKeyOKJCMWYYQBJJRW-GFCCVEGCSA-N
XLogP1.78
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexyl]acetic acid
CID 61409048
2-[1-[2-[2-(hydroxymethyl)azepan-1-yl]-2-oxoethyl]cyclopentyl]acetic acid
CID 116634316
2-[1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 3655382
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(1-methylcyclopropyl)ethanone
CID 143121486
2-[1-[2-(azocan-1-yl)-2-oxoethyl]cyclohexyl]acetic acid
CID 43235044
2-[1-(2-oxo-2-piperidin-1-ylethyl)cyclohexyl]acetic acid
CID 43426933
2-[1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid
CID 112624717
2-[1-[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 60662901
2-[1-(aminomethyl)cyclohexyl]-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanone
CID 104678156
2-chloro-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116634371
2-bromo-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 63680489
5-[2-(hydroxymethyl)pyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoic acid
CID 55135986

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexyl]acetic acid (CID 107214338) is 2-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexyl]acetic acid is O=C(O)CC1(CC(=O)N2CCC[C@@H]2CO)CCCCC1.
What is the InChIKey of 2-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexyl]acetic acid?
The InChIKey is OKJCMWYYQBJJRW-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H25NO4/c17-11-12-5-4-8-16(12)13(18)9-15(10-14(19)20)6-2-1-3-7-15/h12,17H,1-11H2,(H,19,20)/t12-/m1/s1.
What are the key properties of 2-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexyl]acetic acid?
2-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexyl]acetic acid has a molecular weight of 283.37 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 107214338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).