2-[2-amino-N-[(5-methyloxolan-2-yl)methyl]anilino]acetic acid

C14H20N2O3 — CID 103134997

IUPAC2-[2-amino-N-[(5-methyloxolan-2-yl)methyl]anilino]acetic acid
SMILESCC1CCC(CN(CC(=O)O)c2ccccc2N)O1
InChIInChI=1S/C14H20N2O3/c1-10-6-7-11(19-10)8-16(9-14(17)18)13-5-3-2-4-12(13)15/h2-5,10-11H,6-9,15H2,1H3,(H,17,18)
InChIKeyHFNGVSFTSGKINJ-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.73
Rot. Bonds5

About 2-[2-amino-N-[(5-methyloxolan-2-yl)methyl]anilino]acetic acid

2-[2-amino-N-[(5-methyloxolan-2-yl)methyl]anilino]acetic acid (PubChem CID 103134997) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[2-amino-N-[(5-methyloxolan-2-yl)methyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[2-amino-N-[(5-methyloxolan-2-yl)methyl]anilino]acetic acid
PubChem CID103134997
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[2-amino-N-[(5-methyloxolan-2-yl)methyl]anilino]acetic acid
SMILESCC1CCC(CN(CC(=O)O)c2ccccc2N)O1
InChIInChI=1S/C14H20N2O3/c1-10-6-7-11(19-10)8-16(9-14(17)18)13-5-3-2-4-12(13)15/h2-5,10-11H,6-9,15H2,1H3,(H,17,18)
InChIKeyHFNGVSFTSGKINJ-UHFFFAOYSA-N
XLogP1.73
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-Morpholin-4-yl-phenyl)-2-[(tetrahydro-furan-2-ylmethyl)-amino]-acetamide
CID 652049
N-(2-Azepan-1-yl-phenyl)-2-[(tetrahydro-furan-2-ylmethyl)-amino]-acetamide
CID 9549409
3-(2-Aminophenyl)-5-hexyloxazolidin-2-one
CID 46887116
Podocarpiamide
CID 139585113
N-(oxolan-2-ylmethyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 16258594
N-(2-morpholin-4-ylphenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 652050
N-(2-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 3226669
N-[2-(azepan-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 3226886
Methyl 2-[2-(4-hydroxypiperidin-1-yl)anilino]acetate
CID 52704837
N-methyl-2-[1-(oxolan-2-yl)ethylamino]-N-phenylacetamide
CID 86789598
[(3S,5S)-1-(2-amino-4-fluorophenyl)-5-(hydroxymethyl)pyrrolidin-3-yl] carbamate
CID 175087061
2-(oxolan-2-ylmethylamino)-N-(2-piperidin-1-ylphenyl)acetamide
CID 43816728

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-N-[(5-methyloxolan-2-yl)methyl]anilino]acetic acid?
The IUPAC name of 2-[2-amino-N-[(5-methyloxolan-2-yl)methyl]anilino]acetic acid (CID 103134997) is 2-[2-amino-N-[(5-methyloxolan-2-yl)methyl]anilino]acetic acid.
What is the SMILES notation for 2-[2-amino-N-[(5-methyloxolan-2-yl)methyl]anilino]acetic acid?
The canonical SMILES for 2-[2-amino-N-[(5-methyloxolan-2-yl)methyl]anilino]acetic acid is CC1CCC(CN(CC(=O)O)c2ccccc2N)O1.
What is the InChIKey of 2-[2-amino-N-[(5-methyloxolan-2-yl)methyl]anilino]acetic acid?
The InChIKey is HFNGVSFTSGKINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-6-7-11(19-10)8-16(9-14(17)18)13-5-3-2-4-12(13)15/h2-5,10-11H,6-9,15H2,1H3,(H,17,18).
What are the key properties of 2-[2-amino-N-[(5-methyloxolan-2-yl)methyl]anilino]acetic acid?
2-[2-amino-N-[(5-methyloxolan-2-yl)methyl]anilino]acetic acid has a molecular weight of 264.32 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-N-[(5-methyloxolan-2-yl)methyl]anilino]acetic acid is sourced from PubChem (CID 103134997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).