2-[(3,3-dimethylcyclopentyl)-ethylamino]acetic acid

C11H21NO2 — CID 80698921

IUPAC2-[(3,3-dimethylcyclopentyl)-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CCC(C)(C)C1
InChIInChI=1S/C11H21NO2/c1-4-12(8-10(13)14)9-5-6-11(2,3)7-9/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyPHRFTCNRRGJFEV-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.97
Rot. Bonds4

About 2-[(3,3-dimethylcyclopentyl)-ethylamino]acetic acid

2-[(3,3-dimethylcyclopentyl)-ethylamino]acetic acid (PubChem CID 80698921) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-[(3,3-dimethylcyclopentyl)-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[(3,3-dimethylcyclopentyl)-ethylamino]acetic acid
PubChem CID80698921
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-[(3,3-dimethylcyclopentyl)-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CCC(C)(C)C1
InChIInChI=1S/C11H21NO2/c1-4-12(8-10(13)14)9-5-6-11(2,3)7-9/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyPHRFTCNRRGJFEV-UHFFFAOYSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,3-dimethylcyclopentyl)-propylamino]acetic acid
CID 80699036
3-[(3,3-dimethylcyclopentyl)-ethylamino]propanoic acid
CID 80699493
2-[(5,5-dimethylthian-3-yl)-ethylamino]acetic acid
CID 79947492
2-[ethyl-[1-[(2,4,4-trimethylcyclohexyl)carbamoyl]piperidin-4-yl]amino]acetic acid
CID 122005078
2-[(4,4-dimethylcyclohexyl)-prop-2-enylamino]acetic acid
CID 79285257
2-[1,9-dioxaspiro[5.5]undecan-4-yl(ethyl)amino]acetic acid
CID 79894049
2-[cyclopropylmethyl-(3,3,5,5-tetramethylcyclohexyl)amino]acetic acid
CID 103961392
2-[azetidin-3-yl(ethyl)amino]acetic acid
CID 66184731
2-[(3,3-dimethylcyclopentyl)-(1,1-dioxothiolan-3-yl)amino]acetic acid
CID 80699836
2-[(3,3-dimethylcyclopentyl)-methylamino]acetamide
CID 131106276
2-[2-(dimethylamino)ethyl-(2,4,4-trimethylcyclohexyl)amino]acetic acid
CID 107426101
2-[cyclopropyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid
CID 54945400

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-dimethylcyclopentyl)-ethylamino]acetic acid?
The IUPAC name of 2-[(3,3-dimethylcyclopentyl)-ethylamino]acetic acid (CID 80698921) is 2-[(3,3-dimethylcyclopentyl)-ethylamino]acetic acid.
What is the SMILES notation for 2-[(3,3-dimethylcyclopentyl)-ethylamino]acetic acid?
The canonical SMILES for 2-[(3,3-dimethylcyclopentyl)-ethylamino]acetic acid is CCN(CC(=O)O)C1CCC(C)(C)C1.
What is the InChIKey of 2-[(3,3-dimethylcyclopentyl)-ethylamino]acetic acid?
The InChIKey is PHRFTCNRRGJFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-12(8-10(13)14)9-5-6-11(2,3)7-9/h9H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 2-[(3,3-dimethylcyclopentyl)-ethylamino]acetic acid?
2-[(3,3-dimethylcyclopentyl)-ethylamino]acetic acid has a molecular weight of 199.29 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-dimethylcyclopentyl)-ethylamino]acetic acid is sourced from PubChem (CID 80698921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).