2-[(3-methylcyclopentyl)-(2-methylpropyl)amino]acetic acid

C12H23NO2 — CID 65064148

IUPAC2-[(3-methylcyclopentyl)-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C1CCC(C)C1
InChIInChI=1S/C12H23NO2/c1-9(2)7-13(8-12(14)15)11-5-4-10(3)6-11/h9-11H,4-8H2,1-3H3,(H,14,15)
InChIKeyDOFZYPMZKMNOGP-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.22
Rot. Bonds5

About 2-[(3-methylcyclopentyl)-(2-methylpropyl)amino]acetic acid

2-[(3-methylcyclopentyl)-(2-methylpropyl)amino]acetic acid (PubChem CID 65064148) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[(3-methylcyclopentyl)-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-methylcyclopentyl)-(2-methylpropyl)amino]acetic acid
PubChem CID65064148
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-[(3-methylcyclopentyl)-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C1CCC(C)C1
InChIInChI=1S/C12H23NO2/c1-9(2)7-13(8-12(14)15)11-5-4-10(3)6-11/h9-11H,4-8H2,1-3H3,(H,14,15)
InChIKeyDOFZYPMZKMNOGP-UHFFFAOYSA-N
XLogP2.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylcyclopentyl)-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(3-methylcyclopentyl)-(2-methylpropyl)amino]acetic acid (CID 65064148) is 2-[(3-methylcyclopentyl)-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-methylcyclopentyl)-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(3-methylcyclopentyl)-(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)C1CCC(C)C1.
What is the InChIKey of 2-[(3-methylcyclopentyl)-(2-methylpropyl)amino]acetic acid?
The InChIKey is DOFZYPMZKMNOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9(2)7-13(8-12(14)15)11-5-4-10(3)6-11/h9-11H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 2-[(3-methylcyclopentyl)-(2-methylpropyl)amino]acetic acid?
2-[(3-methylcyclopentyl)-(2-methylpropyl)amino]acetic acid has a molecular weight of 213.32 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylcyclopentyl)-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 65064148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).