2-[1-cyclopentylethyl-[2-(dimethylamino)ethyl]amino]acetic acid

C13H26N2O2 — CID 107426275

IUPAC2-[1-cyclopentylethyl-[2-(dimethylamino)ethyl]amino]acetic acid
SMILESCC(C1CCCC1)N(CCN(C)C)CC(=O)O
InChIInChI=1S/C13H26N2O2/c1-11(12-6-4-5-7-12)15(10-13(16)17)9-8-14(2)3/h11-12H,4-10H2,1-3H3,(H,16,17)
InChIKeyIMIWDVAAOZGWQM-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.51
Rot. Bonds7

About 2-[1-cyclopentylethyl-[2-(dimethylamino)ethyl]amino]acetic acid

2-[1-cyclopentylethyl-[2-(dimethylamino)ethyl]amino]acetic acid (PubChem CID 107426275) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[1-cyclopentylethyl-[2-(dimethylamino)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[1-cyclopentylethyl-[2-(dimethylamino)ethyl]amino]acetic acid
PubChem CID107426275
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-[1-cyclopentylethyl-[2-(dimethylamino)ethyl]amino]acetic acid
SMILESCC(C1CCCC1)N(CCN(C)C)CC(=O)O
InChIInChI=1S/C13H26N2O2/c1-11(12-6-4-5-7-12)15(10-13(16)17)9-8-14(2)3/h11-12H,4-10H2,1-3H3,(H,16,17)
InChIKeyIMIWDVAAOZGWQM-UHFFFAOYSA-N
XLogP1.51
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(s)-4-i-Butyl-3,9-bis(carboxymethyl)-6-carboxymethyl-3,6,9-triaza-undecanedioic acid
CID 129723888
2-[(3-Ethylcyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265879
2-[1-Cyclopentylethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266434
2-[2-(Dimethylamino)ethyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid
CID 107426143
2-[2-(Dimethylamino)ethyl-[3-(trifluoromethyl)cyclohexyl]amino]acetic acid
CID 107426331
2-[(2-Ethylcyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 116177276
2-[2-(2,2-Difluorocyclopentyl)ethyl-propan-2-ylamino]acetic acid
CID 166251795
2-[[(1S,2R)-2-[bis(carboxymethyl)amino]-3,5-dimethylcyclopentyl]-(carboxymethyl)amino]acetic acid
CID 18392543
2-[Cyclopentylmethyl(methyl)amino]acetic acid
CID 21130023
2-[[(1S,2R,3S,5R)-2-[bis(carboxymethyl)amino]-3,5-dimethylcyclopentyl]-(carboxymethyl)amino]acetic acid
CID 23579875
2-[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]acetic acid
CID 57733810
2-[methyl-[(3S,4S)-3-methyl-4-[(4-methylpiperidin-1-yl)methyl]cyclopentyl]amino]acetic acid
CID 59033038

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopentylethyl-[2-(dimethylamino)ethyl]amino]acetic acid?
The IUPAC name of 2-[1-cyclopentylethyl-[2-(dimethylamino)ethyl]amino]acetic acid (CID 107426275) is 2-[1-cyclopentylethyl-[2-(dimethylamino)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[1-cyclopentylethyl-[2-(dimethylamino)ethyl]amino]acetic acid?
The canonical SMILES for 2-[1-cyclopentylethyl-[2-(dimethylamino)ethyl]amino]acetic acid is CC(C1CCCC1)N(CCN(C)C)CC(=O)O.
What is the InChIKey of 2-[1-cyclopentylethyl-[2-(dimethylamino)ethyl]amino]acetic acid?
The InChIKey is IMIWDVAAOZGWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11(12-6-4-5-7-12)15(10-13(16)17)9-8-14(2)3/h11-12H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 2-[1-cyclopentylethyl-[2-(dimethylamino)ethyl]amino]acetic acid?
2-[1-cyclopentylethyl-[2-(dimethylamino)ethyl]amino]acetic acid has a molecular weight of 242.36 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopentylethyl-[2-(dimethylamino)ethyl]amino]acetic acid is sourced from PubChem (CID 107426275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).