2-[(2-butoxycyclopentyl)-(carboxymethyl)amino]acetic acid

C13H23NO5 — CID 118026804

IUPAC2-[(2-butoxycyclopentyl)-(carboxymethyl)amino]acetic acid
SMILESCCCCOC1CCCC1N(CC(=O)O)CC(=O)O
InChIInChI=1S/C13H23NO5/c1-2-3-7-19-11-6-4-5-10(11)14(8-12(15)16)9-13(17)18/h10-11H,2-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyVMVNMEOPSJYMDI-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.20
Rot. Bonds9

About 2-[(2-butoxycyclopentyl)-(carboxymethyl)amino]acetic acid

2-[(2-butoxycyclopentyl)-(carboxymethyl)amino]acetic acid (PubChem CID 118026804) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[(2-butoxycyclopentyl)-(carboxymethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-butoxycyclopentyl)-(carboxymethyl)amino]acetic acid
PubChem CID118026804
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name2-[(2-butoxycyclopentyl)-(carboxymethyl)amino]acetic acid
SMILESCCCCOC1CCCC1N(CC(=O)O)CC(=O)O
InChIInChI=1S/C13H23NO5/c1-2-3-7-19-11-6-4-5-10(11)14(8-12(15)16)9-13(17)18/h10-11H,2-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyVMVNMEOPSJYMDI-UHFFFAOYSA-N
XLogP1.20
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[Carboxymethyl(oxolan-2-ylmethyl)amino]acetic acid
CID 11042173
trans-(-)-2-(acetyloxy)-N,N,N-trimethylcyclopentanaminium iodide
CID 155025
2-{[(Furan-2-yl)methyl](methyl)amino}acetic acid
CID 43442255
[2-(Dimethylamino)cyclopentyl] acetate
CID 59356687
2-[[(1R,2R)-2-butoxycyclopentyl]-(carboxymethyl)amino]acetic acid
CID 118026791
2-[[(1S,2S)-2-butoxycyclopentyl]-(carboxymethyl)amino]acetic acid
CID 118026795
2-[[(2S)-2-butoxycyclopentyl]-(carboxymethyl)amino]acetic acid
CID 118054381
6-(2-Butoxycyclopentyl)-2-methyl-1,3,6,2-dioxazaborocane-4,8-dione
CID 173580024
6-[(1S,2S)-2-butoxycyclopentyl]-2-methyl-1,3,6,2-dioxazaborocane-4,8-dione
CID 173580027
[[(2S)-butan-2-yl]-methylboranyl] 2-[[(1S,2S)-2-butoxycyclopentyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 173650259
2-[(2S)-butan-2-yl]-6-[(1S,2S)-2-butoxycyclopentyl]-1,3,6,2-dioxazaborocane-4,8-dione
CID 173650260
[(1R,2R)-2-acetyloxycyclopentyl]-trimethylazanium
CID 3036739

Frequently Asked Questions

What is the IUPAC name of 2-[(2-butoxycyclopentyl)-(carboxymethyl)amino]acetic acid?
The IUPAC name of 2-[(2-butoxycyclopentyl)-(carboxymethyl)amino]acetic acid (CID 118026804) is 2-[(2-butoxycyclopentyl)-(carboxymethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-butoxycyclopentyl)-(carboxymethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-butoxycyclopentyl)-(carboxymethyl)amino]acetic acid is CCCCOC1CCCC1N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[(2-butoxycyclopentyl)-(carboxymethyl)amino]acetic acid?
The InChIKey is VMVNMEOPSJYMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-2-3-7-19-11-6-4-5-10(11)14(8-12(15)16)9-13(17)18/h10-11H,2-9H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(2-butoxycyclopentyl)-(carboxymethyl)amino]acetic acid?
2-[(2-butoxycyclopentyl)-(carboxymethyl)amino]acetic acid has a molecular weight of 273.33 g/mol, XLogP of 1.20, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-butoxycyclopentyl)-(carboxymethyl)amino]acetic acid is sourced from PubChem (CID 118026804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).