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

C14H20N2O4 — CID 92921049

IUPAC2-[[3-[[ethyl(2-hydroxyethyl)amino]methyl]benzoyl]amino]acetic acid
SMILESCCN(CCO)Cc1cccc(C(=O)NCC(=O)O)c1
InChIInChI=1S/C14H20N2O4/c1-2-16(6-7-17)10-11-4-3-5-12(8-11)14(20)15-9-13(18)19/h3-5,8,17H,2,6-7,9-10H2,1H3,(H,15,20)(H,18,19)
InChIKeyGQSQJZICHITMKM-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.32
Rot. Bonds8

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

2-[[3-[[ethyl(2-hydroxyethyl)amino]methyl]benzoyl]amino]acetic acid (PubChem CID 92921049) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[[3-[[ethyl(2-hydroxyethyl)amino]methyl]benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-[[ethyl(2-hydroxyethyl)amino]methyl]benzoyl]amino]acetic acid
PubChem CID92921049
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[[3-[[ethyl(2-hydroxyethyl)amino]methyl]benzoyl]amino]acetic acid
SMILESCCN(CCO)Cc1cccc(C(=O)NCC(=O)O)c1
InChIInChI=1S/C14H20N2O4/c1-2-16(6-7-17)10-11-4-3-5-12(8-11)14(20)15-9-13(18)19/h3-5,8,17H,2,6-7,9-10H2,1H3,(H,15,20)(H,18,19)
InChIKeyGQSQJZICHITMKM-UHFFFAOYSA-N
XLogP0.32
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-[[ethyl(2-hydroxyethyl)amino]methoxy]benzoyl]amino]acetic acid
CID 39288827
3-(diethylaminomethyl)benzohydrazide
CID 63571195
N-[2-[[3-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-3-fluorobenzamide
CID 78902086
3-[[ethyl(2-methoxyethyl)amino]methyl]benzoic acid
CID 55136245
3-[[benzyl(ethyl)amino]methyl]benzoic acid
CID 22685949
2-[(3-chlorophenyl)methyl-ethylamino]ethanol
CID 60685456
1-[benzyl(2-hydroxyethyl)amino]propan-2-one
CID 20674857
3-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-N-phenylbenzamide
CID 47059686
1-[3-[(dipropylamino)methyl]phenyl]-2-hydroxyethanone
CID 22569822
4-[[ethyl(2-hydroxyethyl)amino]methyl]benzohydrazide
CID 63572832
N-[[3-[[ethyl(propyl)amino]methyl]phenyl]methyl]acetamide
CID 143915548
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(methylsulfonylmethyl)benzamide
CID 17478307

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[ethyl(2-hydroxyethyl)amino]methyl]benzoyl]amino]acetic acid?
The IUPAC name of 2-[[3-[[ethyl(2-hydroxyethyl)amino]methyl]benzoyl]amino]acetic acid (CID 92921049) is 2-[[3-[[ethyl(2-hydroxyethyl)amino]methyl]benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-[[ethyl(2-hydroxyethyl)amino]methyl]benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[3-[[ethyl(2-hydroxyethyl)amino]methyl]benzoyl]amino]acetic acid is CCN(CCO)Cc1cccc(C(=O)NCC(=O)O)c1.
What is the InChIKey of 2-[[3-[[ethyl(2-hydroxyethyl)amino]methyl]benzoyl]amino]acetic acid?
The InChIKey is GQSQJZICHITMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-2-16(6-7-17)10-11-4-3-5-12(8-11)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]methyl]benzoyl]amino]acetic acid?
2-[[3-[[ethyl(2-hydroxyethyl)amino]methyl]benzoyl]amino]acetic acid has a molecular weight of 280.32 g/mol, XLogP of 0.32, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[ethyl(2-hydroxyethyl)amino]methyl]benzoyl]amino]acetic acid is sourced from PubChem (CID 92921049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).