2-[3,4-dihydro-2H-chromene-4-carbonyl(ethyl)amino]acetic acid

C14H17NO4 — CID 63709185

IUPAC2-[3,4-dihydro-2H-chromene-4-carbonyl(ethyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)C1CCOc2ccccc21
InChIInChI=1S/C14H17NO4/c1-2-15(9-13(16)17)14(18)11-7-8-19-12-6-4-3-5-10(11)12/h3-6,11H,2,7-9H2,1H3,(H,16,17)
InChIKeySHSUTGKWEXSYKT-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.49
Rot. Bonds4

About 2-[3,4-dihydro-2H-chromene-4-carbonyl(ethyl)amino]acetic acid

2-[3,4-dihydro-2H-chromene-4-carbonyl(ethyl)amino]acetic acid (PubChem CID 63709185) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-[3,4-dihydro-2H-chromene-4-carbonyl(ethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[3,4-dihydro-2H-chromene-4-carbonyl(ethyl)amino]acetic acid
PubChem CID63709185
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-[3,4-dihydro-2H-chromene-4-carbonyl(ethyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)C1CCOc2ccccc21
InChIInChI=1S/C14H17NO4/c1-2-15(9-13(16)17)14(18)11-7-8-19-12-6-4-3-5-10(11)12/h3-6,11H,2,7-9H2,1H3,(H,16,17)
InChIKeySHSUTGKWEXSYKT-UHFFFAOYSA-N
XLogP1.49
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3,4-dihydro-2H-chromene-4-carbonyl(ethyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3,4-dihydro-2H-chromene-4-carbonyl(2-methylpropyl)amino]acetic acid
CID 63708820
N-ethyl-N-(3-hydroxypropyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 115772095
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3,4-dihydro-2H-chromene-4-carboxamide
CID 79663387
2-[[(3S)-2,3-dihydro-1-benzofuran-3-carbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid
CID 124677193
methyl 2-[3,4-dihydro-2H-chromene-4-carbonyl(propyl)amino]acetate
CID 63237160
N-(2-chloroethyl)-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide
CID 63709229
N-(cyanomethyl)-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide
CID 63184213
3-[3,4-dihydro-2H-chromene-4-carbonyl(oxolan-2-ylmethyl)amino]propanoic acid
CID 119209810
2-[3,4-dihydro-2H-chromen-4-ylcarbamoyl(propyl)amino]acetic acid
CID 62366625
2-[(2-amino-2-oxoethyl)-(2,3-dihydro-1-benzofuran-3-carbonyl)amino]acetic acid
CID 107434626
(2S)-3-[[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]-methylamino]-2-methylpropanoic acid
CID 124556443
N-piperidin-4-yl-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide;hydrochloride
CID 119825491

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-dihydro-2H-chromene-4-carbonyl(ethyl)amino]acetic acid?
The IUPAC name of 2-[3,4-dihydro-2H-chromene-4-carbonyl(ethyl)amino]acetic acid (CID 63709185) is 2-[3,4-dihydro-2H-chromene-4-carbonyl(ethyl)amino]acetic acid.
What is the SMILES notation for 2-[3,4-dihydro-2H-chromene-4-carbonyl(ethyl)amino]acetic acid?
The canonical SMILES for 2-[3,4-dihydro-2H-chromene-4-carbonyl(ethyl)amino]acetic acid is CCN(CC(=O)O)C(=O)C1CCOc2ccccc21.
What is the InChIKey of 2-[3,4-dihydro-2H-chromene-4-carbonyl(ethyl)amino]acetic acid?
The InChIKey is SHSUTGKWEXSYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-2-15(9-13(16)17)14(18)11-7-8-19-12-6-4-3-5-10(11)12/h3-6,11H,2,7-9H2,1H3,(H,16,17).
What are the key properties of 2-[3,4-dihydro-2H-chromene-4-carbonyl(ethyl)amino]acetic acid?
2-[3,4-dihydro-2H-chromene-4-carbonyl(ethyl)amino]acetic acid has a molecular weight of 263.29 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-dihydro-2H-chromene-4-carbonyl(ethyl)amino]acetic acid is sourced from PubChem (CID 63709185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).