2-[1-[2-[[methyl(propan-2-yl)carbamoyl]amino]-2-oxoethyl]cyclopentyl]acetic acid

C14H24N2O4 — CID 61069500

IUPAC2-[1-[2-[[methyl(propan-2-yl)carbamoyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCC(C)N(C)C(=O)NC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C14H24N2O4/c1-10(2)16(3)13(20)15-11(17)8-14(9-12(18)19)6-4-5-7-14/h10H,4-9H2,1-3H3,(H,18,19)(H,15,17,20)
InChIKeyMEJHYLLTNZHHBR-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.99
Rot. Bonds5

About 2-[1-[2-[[methyl(propan-2-yl)carbamoyl]amino]-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-[[methyl(propan-2-yl)carbamoyl]amino]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 61069500) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[1-[2-[[methyl(propan-2-yl)carbamoyl]amino]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[[methyl(propan-2-yl)carbamoyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID61069500
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name2-[1-[2-[[methyl(propan-2-yl)carbamoyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCC(C)N(C)C(=O)NC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C14H24N2O4/c1-10(2)16(3)13(20)15-11(17)8-14(9-12(18)19)6-4-5-7-14/h10H,4-9H2,1-3H3,(H,18,19)(H,15,17,20)
InChIKeyMEJHYLLTNZHHBR-UHFFFAOYSA-N
XLogP1.99
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[[methyl(propan-2-yl)carbamoyl]amino]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-[[methyl(propan-2-yl)carbamoyl]amino]-2-oxoethyl]cyclopentyl]acetic acid (CID 61069500) is 2-[1-[2-[[methyl(propan-2-yl)carbamoyl]amino]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[[methyl(propan-2-yl)carbamoyl]amino]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-[[methyl(propan-2-yl)carbamoyl]amino]-2-oxoethyl]cyclopentyl]acetic acid is CC(C)N(C)C(=O)NC(=O)CC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[2-[[methyl(propan-2-yl)carbamoyl]amino]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is MEJHYLLTNZHHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-10(2)16(3)13(20)15-11(17)8-14(9-12(18)19)6-4-5-7-14/h10H,4-9H2,1-3H3,(H,18,19)(H,15,17,20).
What are the key properties of 2-[1-[2-[[methyl(propan-2-yl)carbamoyl]amino]-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-[[methyl(propan-2-yl)carbamoyl]amino]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 284.36 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[[methyl(propan-2-yl)carbamoyl]amino]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 61069500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).