2-[(3-cyclopentyl-2-hydroxypropyl)-(2-methoxyethyl)amino]acetic acid

C13H25NO4 — CID 103159326

IUPAC2-[(3-cyclopentyl-2-hydroxypropyl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)CC(O)CC1CCCC1
InChIInChI=1S/C13H25NO4/c1-18-7-6-14(10-13(16)17)9-12(15)8-11-4-2-3-5-11/h11-12,15H,2-10H2,1H3,(H,16,17)
InChIKeyIEKLEWZJAQQUQK-UHFFFAOYSA-N
MW259.35 g/mol
LogP0.96
Rot. Bonds9

About 2-[(3-cyclopentyl-2-hydroxypropyl)-(2-methoxyethyl)amino]acetic acid

2-[(3-cyclopentyl-2-hydroxypropyl)-(2-methoxyethyl)amino]acetic acid (PubChem CID 103159326) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[(3-cyclopentyl-2-hydroxypropyl)-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-cyclopentyl-2-hydroxypropyl)-(2-methoxyethyl)amino]acetic acid
PubChem CID103159326
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name2-[(3-cyclopentyl-2-hydroxypropyl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)CC(O)CC1CCCC1
InChIInChI=1S/C13H25NO4/c1-18-7-6-14(10-13(16)17)9-12(15)8-11-4-2-3-5-11/h11-12,15H,2-10H2,1H3,(H,16,17)
InChIKeyIEKLEWZJAQQUQK-UHFFFAOYSA-N
XLogP0.96
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclobutylmethyl(2-methoxyethyl)amino]acetic acid
CID 65457394
1-cyclopentyl-3-[2-methoxyethyl(methyl)amino]propan-2-ol
CID 103159826
1-cyclopentyl-3-[1-cyclopropylethyl(2-methoxyethyl)amino]propan-2-ol
CID 103159910
2-[2-methoxyethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]acetic acid
CID 54969053
2-[(4-ethylcycloheptyl)-(2-methoxyethyl)amino]acetic acid
CID 65087606
2-[2-methoxyethyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]acetic acid
CID 62626971
4-[cyclopropyl(2-methoxyethyl)amino]-3-hydroxybutanoic acid
CID 82770599
1-cyclopentyl-3-[2-hydroxyethyl(methyl)amino]propan-2-ol
CID 103159770
3-[carboxymethyl(3-methoxypropyl)amino]-2-methylpropanoic acid
CID 82327474
3-[bis(2-methoxyethyl)amino]propane-1,2-diol
CID 78907099
[(2S)-3-cyclohexyl-1-[2-methoxyethyl(methyl)amino]-1-oxopropan-2-yl] formate
CID 141112503
3-cyclopentyl-N,N-bis(2-methoxyethyl)propan-1-amine
CID 78870866

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopentyl-2-hydroxypropyl)-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[(3-cyclopentyl-2-hydroxypropyl)-(2-methoxyethyl)amino]acetic acid (CID 103159326) is 2-[(3-cyclopentyl-2-hydroxypropyl)-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-cyclopentyl-2-hydroxypropyl)-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[(3-cyclopentyl-2-hydroxypropyl)-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)CC(O)CC1CCCC1.
What is the InChIKey of 2-[(3-cyclopentyl-2-hydroxypropyl)-(2-methoxyethyl)amino]acetic acid?
The InChIKey is IEKLEWZJAQQUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-18-7-6-14(10-13(16)17)9-12(15)8-11-4-2-3-5-11/h11-12,15H,2-10H2,1H3,(H,16,17).
What are the key properties of 2-[(3-cyclopentyl-2-hydroxypropyl)-(2-methoxyethyl)amino]acetic acid?
2-[(3-cyclopentyl-2-hydroxypropyl)-(2-methoxyethyl)amino]acetic acid has a molecular weight of 259.35 g/mol, XLogP of 0.96, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopentyl-2-hydroxypropyl)-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 103159326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).