1-[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid

C13H23NO4 — CID 79254012

IUPAC1-[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCC(C)C(CO)NC(=O)CC1(C(=O)O)CCCC1
InChIInChI=1S/C13H23NO4/c1-9(2)10(8-15)14-11(16)7-13(12(17)18)5-3-4-6-13/h9-10,15H,3-8H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyXASJRJZQKUAFAD-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.15
Rot. Bonds6

About 1-[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 79254012) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID79254012
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name1-[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCC(C)C(CO)NC(=O)CC1(C(=O)O)CCCC1
InChIInChI=1S/C13H23NO4/c1-9(2)10(8-15)14-11(16)7-13(12(17)18)5-3-4-6-13/h9-10,15H,3-8H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyXASJRJZQKUAFAD-UHFFFAOYSA-N
XLogP1.15
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 79254012) is 1-[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid is CC(C)C(CO)NC(=O)CC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is XASJRJZQKUAFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-9(2)10(8-15)14-11(16)7-13(12(17)18)5-3-4-6-13/h9-10,15H,3-8H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 1-[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 257.33 g/mol, XLogP of 1.15, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79254012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).