1-amino-3-(2-propan-2-yloxyethoxy)cyclopentane-1-carboxylic acid

C11H21NO4 — CID 79649444

IUPAC1-amino-3-(2-propan-2-yloxyethoxy)cyclopentane-1-carboxylic acid
SMILESCC(C)OCCOC1CCC(N)(C(=O)O)C1
InChIInChI=1S/C11H21NO4/c1-8(2)15-5-6-16-9-3-4-11(12,7-9)10(13)14/h8-9H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyATCJZWGKIQKUSU-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.76
Rot. Bonds6

About 1-amino-3-(2-propan-2-yloxyethoxy)cyclopentane-1-carboxylic acid

1-amino-3-(2-propan-2-yloxyethoxy)cyclopentane-1-carboxylic acid (PubChem CID 79649444) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 1-amino-3-(2-propan-2-yloxyethoxy)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-3-(2-propan-2-yloxyethoxy)cyclopentane-1-carboxylic acid
PubChem CID79649444
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name1-amino-3-(2-propan-2-yloxyethoxy)cyclopentane-1-carboxylic acid
SMILESCC(C)OCCOC1CCC(N)(C(=O)O)C1
InChIInChI=1S/C11H21NO4/c1-8(2)15-5-6-16-9-3-4-11(12,7-9)10(13)14/h8-9H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyATCJZWGKIQKUSU-UHFFFAOYSA-N
XLogP0.76
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-propan-2-yloxyethoxy)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-amino-3-(2-propan-2-yloxyethoxy)cyclopentane-1-carboxylic acid (CID 79649444) is 1-amino-3-(2-propan-2-yloxyethoxy)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-amino-3-(2-propan-2-yloxyethoxy)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-amino-3-(2-propan-2-yloxyethoxy)cyclopentane-1-carboxylic acid is CC(C)OCCOC1CCC(N)(C(=O)O)C1.
What is the InChIKey of 1-amino-3-(2-propan-2-yloxyethoxy)cyclopentane-1-carboxylic acid?
The InChIKey is ATCJZWGKIQKUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-8(2)15-5-6-16-9-3-4-11(12,7-9)10(13)14/h8-9H,3-7,12H2,1-2H3,(H,13,14).
What are the key properties of 1-amino-3-(2-propan-2-yloxyethoxy)cyclopentane-1-carboxylic acid?
1-amino-3-(2-propan-2-yloxyethoxy)cyclopentane-1-carboxylic acid has a molecular weight of 231.29 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-propan-2-yloxyethoxy)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79649444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).