2-[1-[2-(3-methylbutan-2-ylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid

C15H26N2O4 — CID 61069871

IUPAC2-[1-[2-(3-methylbutan-2-ylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid
SMILESCC(C)C(C)NC(=O)NC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C15H26N2O4/c1-10(2)11(3)16-14(21)17-12(18)8-15(9-13(19)20)6-4-5-7-15/h10-11H,4-9H2,1-3H3,(H,19,20)(H2,16,17,18,21)
InChIKeyKJVPLRDXQBGXJV-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.28
Rot. Bonds6

About 2-[1-[2-(3-methylbutan-2-ylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-(3-methylbutan-2-ylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 61069871) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[1-[2-(3-methylbutan-2-ylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(3-methylbutan-2-ylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID61069871
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-[1-[2-(3-methylbutan-2-ylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid
SMILESCC(C)C(C)NC(=O)NC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C15H26N2O4/c1-10(2)11(3)16-14(21)17-12(18)8-15(9-13(19)20)6-4-5-7-15/h10-11H,4-9H2,1-3H3,(H,19,20)(H2,16,17,18,21)
InChIKeyKJVPLRDXQBGXJV-UHFFFAOYSA-N
XLogP2.28
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3-methylbutan-2-ylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-(3-methylbutan-2-ylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid (CID 61069871) is 2-[1-[2-(3-methylbutan-2-ylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(3-methylbutan-2-ylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-(3-methylbutan-2-ylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid is CC(C)C(C)NC(=O)NC(=O)CC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[2-(3-methylbutan-2-ylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is KJVPLRDXQBGXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-10(2)11(3)16-14(21)17-12(18)8-15(9-13(19)20)6-4-5-7-15/h10-11H,4-9H2,1-3H3,(H,19,20)(H2,16,17,18,21).
What are the key properties of 2-[1-[2-(3-methylbutan-2-ylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-(3-methylbutan-2-ylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 298.38 g/mol, XLogP of 2.28, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3-methylbutan-2-ylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 61069871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).