1-amino-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid

C10H19NO3 — CID 45026971

IUPAC1-amino-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid
SMILESCC(C)(C)OC1CCC(N)(C(=O)O)C1
InChIInChI=1S/C10H19NO3/c1-9(2,3)14-7-4-5-10(11,6-7)8(12)13/h7H,4-6,11H2,1-3H3,(H,12,13)
InChIKeyDEUJYJANBYBAPX-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.14
Rot. Bonds2

About 1-amino-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid

1-amino-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid (PubChem CID 45026971) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-amino-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid
PubChem CID45026971
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name1-amino-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid
SMILESCC(C)(C)OC1CCC(N)(C(=O)O)C1
InChIInChI=1S/C10H19NO3/c1-9(2,3)14-7-4-5-10(11,6-7)8(12)13/h7H,4-6,11H2,1-3H3,(H,12,13)
InChIKeyDEUJYJANBYBAPX-UHFFFAOYSA-N
XLogP1.14
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-amino-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid (CID 45026971) is 1-amino-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-amino-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-amino-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid is CC(C)(C)OC1CCC(N)(C(=O)O)C1.
What is the InChIKey of 1-amino-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid?
The InChIKey is DEUJYJANBYBAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-9(2,3)14-7-4-5-10(11,6-7)8(12)13/h7H,4-6,11H2,1-3H3,(H,12,13).
What are the key properties of 1-amino-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid?
1-amino-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid has a molecular weight of 201.27 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 45026971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).