2-[ethoxycarbonyl(propan-2-yl)amino]cyclopentane-1-carboxylic acid

C12H21NO4 — CID 175073075

IUPAC2-[ethoxycarbonyl(propan-2-yl)amino]cyclopentane-1-carboxylic acid
SMILESCCOC(=O)N(C(C)C)C1CCCC1C(=O)O
InChIInChI=1S/C12H21NO4/c1-4-17-12(16)13(8(2)3)10-7-5-6-9(10)11(14)15/h8-10H,4-7H2,1-3H3,(H,14,15)
InChIKeyMBHQAJVJCVVCTL-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.11
Rot. Bonds4

About 2-[ethoxycarbonyl(propan-2-yl)amino]cyclopentane-1-carboxylic acid

2-[ethoxycarbonyl(propan-2-yl)amino]cyclopentane-1-carboxylic acid (PubChem CID 175073075) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-[ethoxycarbonyl(propan-2-yl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[ethoxycarbonyl(propan-2-yl)amino]cyclopentane-1-carboxylic acid
PubChem CID175073075
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name2-[ethoxycarbonyl(propan-2-yl)amino]cyclopentane-1-carboxylic acid
SMILESCCOC(=O)N(C(C)C)C1CCCC1C(=O)O
InChIInChI=1S/C12H21NO4/c1-4-17-12(16)13(8(2)3)10-7-5-6-9(10)11(14)15/h8-10H,4-7H2,1-3H3,(H,14,15)
InChIKeyMBHQAJVJCVVCTL-UHFFFAOYSA-N
XLogP2.11
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[ethoxycarbonyl(propan-2-yl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[ethoxycarbonyl(propan-2-yl)amino]cyclopentane-1-carboxylic acid (CID 175073075) is 2-[ethoxycarbonyl(propan-2-yl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[ethoxycarbonyl(propan-2-yl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[ethoxycarbonyl(propan-2-yl)amino]cyclopentane-1-carboxylic acid is CCOC(=O)N(C(C)C)C1CCCC1C(=O)O.
What is the InChIKey of 2-[ethoxycarbonyl(propan-2-yl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is MBHQAJVJCVVCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-4-17-12(16)13(8(2)3)10-7-5-6-9(10)11(14)15/h8-10H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 2-[ethoxycarbonyl(propan-2-yl)amino]cyclopentane-1-carboxylic acid?
2-[ethoxycarbonyl(propan-2-yl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 243.30 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethoxycarbonyl(propan-2-yl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 175073075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).