2-[cyclopentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid

C12H21NO4 — CID 10586315

IUPAC2-[cyclopentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
SMILESCC(C)(C)OC(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13(8-10(14)15)9-6-4-5-7-9/h9H,4-8H2,1-3H3,(H,14,15)
InChIKeyLMAPTDDADPIENX-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.25
Rot. Bonds3

About 2-[cyclopentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid

2-[cyclopentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid (PubChem CID 10586315) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-[cyclopentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
PubChem CID10586315
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name2-[cyclopentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
SMILESCC(C)(C)OC(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13(8-10(14)15)9-6-4-5-7-9/h9H,4-8H2,1-3H3,(H,14,15)
InChIKeyLMAPTDDADPIENX-UHFFFAOYSA-N
XLogP2.25
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid (CID 10586315) is 2-[cyclopentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid is CC(C)(C)OC(=O)N(CC(=O)O)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The InChIKey is LMAPTDDADPIENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13(8-10(14)15)9-6-4-5-7-9/h9H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 2-[cyclopentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
2-[cyclopentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid has a molecular weight of 243.30 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid is sourced from PubChem (CID 10586315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).