2-[[3-[[ethyl(2-hydroxyethyl)amino]methoxy]benzoyl]amino]acetic acid

C14H20N2O5 — CID 39288827

IUPAC2-[[3-[[ethyl(2-hydroxyethyl)amino]methoxy]benzoyl]amino]acetic acid
SMILESCCN(CCO)COc1cccc(C(=O)NCC(=O)O)c1
InChIInChI=1S/C14H20N2O5/c1-2-16(6-7-17)10-21-12-5-3-4-11(8-12)14(20)15-9-13(18)19/h3-5,8,17H,2,6-7,9-10H2,1H3,(H,15,20)(H,18,19)
InChIKeyBFCXPONJJJMHKF-UHFFFAOYSA-N
MW296.32 g/mol
LogP0.15
Rot. Bonds9

About 2-[[3-[[ethyl(2-hydroxyethyl)amino]methoxy]benzoyl]amino]acetic acid

2-[[3-[[ethyl(2-hydroxyethyl)amino]methoxy]benzoyl]amino]acetic acid (PubChem CID 39288827) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-[[3-[[ethyl(2-hydroxyethyl)amino]methoxy]benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-[[ethyl(2-hydroxyethyl)amino]methoxy]benzoyl]amino]acetic acid
PubChem CID39288827
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name2-[[3-[[ethyl(2-hydroxyethyl)amino]methoxy]benzoyl]amino]acetic acid
SMILESCCN(CCO)COc1cccc(C(=O)NCC(=O)O)c1
InChIInChI=1S/C14H20N2O5/c1-2-16(6-7-17)10-21-12-5-3-4-11(8-12)14(20)15-9-13(18)19/h3-5,8,17H,2,6-7,9-10H2,1H3,(H,15,20)(H,18,19)
InChIKeyBFCXPONJJJMHKF-UHFFFAOYSA-N
XLogP0.15
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[[3-[[ethyl(2-hydroxyethyl)amino]methyl]benzoyl]amino]acetic acid
CID 92921049
2-[[2-[(3-propoxybenzoyl)amino]acetyl]amino]acetic acid
CID 62919842
N-[2-(diethylamino)ethyl]-3-phenoxybenzamide
CID 12941795
3-[2-[2-hydroxyethyl(propyl)amino]ethoxy]benzohydrazide
CID 63583247
3-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzohydrazide
CID 63573041
2-[[2-[(3-propan-2-yloxybenzoyl)amino]acetyl]amino]acetic acid
CID 62919115
3-[[bis(2-methoxyethyl)amino]methoxy]benzoic acid
CID 20989136
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095
2-[(3-methoxycarbonylbenzoyl)amino]acetic acid
CID 108786639
2-[3-(2-methoxyethylcarbamoyl)phenoxy]acetic acid
CID 28762787
2-[[3-(4-propan-2-ylphenoxy)benzoyl]amino]acetic acid
CID 170962981
N-(2-methylprop-2-enyl)-3-propoxybenzamide
CID 114618945

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[ethyl(2-hydroxyethyl)amino]methoxy]benzoyl]amino]acetic acid?
The IUPAC name of 2-[[3-[[ethyl(2-hydroxyethyl)amino]methoxy]benzoyl]amino]acetic acid (CID 39288827) is 2-[[3-[[ethyl(2-hydroxyethyl)amino]methoxy]benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-[[ethyl(2-hydroxyethyl)amino]methoxy]benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[3-[[ethyl(2-hydroxyethyl)amino]methoxy]benzoyl]amino]acetic acid is CCN(CCO)COc1cccc(C(=O)NCC(=O)O)c1.
What is the InChIKey of 2-[[3-[[ethyl(2-hydroxyethyl)amino]methoxy]benzoyl]amino]acetic acid?
The InChIKey is BFCXPONJJJMHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-2-16(6-7-17)10-21-12-5-3-4-11(8-12)14(20)15-9-13(18)19/h3-5,8,17H,2,6-7,9-10H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 2-[[3-[[ethyl(2-hydroxyethyl)amino]methoxy]benzoyl]amino]acetic acid?
2-[[3-[[ethyl(2-hydroxyethyl)amino]methoxy]benzoyl]amino]acetic acid has a molecular weight of 296.32 g/mol, XLogP of 0.15, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[ethyl(2-hydroxyethyl)amino]methoxy]benzoyl]amino]acetic acid is sourced from PubChem (CID 39288827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).