2-[carboxymethyl-(4-hydroxy-5,7-dimethyl-3,4-dihydro-2H-chromen-3-yl)amino]acetic acid

C15H19NO6 — CID 82186853

IUPAC2-[carboxymethyl-(4-hydroxy-5,7-dimethyl-3,4-dihydro-2H-chromen-3-yl)amino]acetic acid
SMILESCc1cc(C)c2c(c1)OCC(N(CC(=O)O)CC(=O)O)C2O
InChIInChI=1S/C15H19NO6/c1-8-3-9(2)14-11(4-8)22-7-10(15(14)21)16(5-12(17)18)6-13(19)20/h3-4,10,15,21H,5-7H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyUBLIQRSNSABICU-UHFFFAOYSA-N
MW309.32 g/mol
LogP0.57
Rot. Bonds5

About 2-[carboxymethyl-(4-hydroxy-5,7-dimethyl-3,4-dihydro-2H-chromen-3-yl)amino]acetic acid

2-[carboxymethyl-(4-hydroxy-5,7-dimethyl-3,4-dihydro-2H-chromen-3-yl)amino]acetic acid (PubChem CID 82186853) has the molecular formula C15H19NO6 and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-[carboxymethyl-(4-hydroxy-5,7-dimethyl-3,4-dihydro-2H-chromen-3-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-(4-hydroxy-5,7-dimethyl-3,4-dihydro-2H-chromen-3-yl)amino]acetic acid
PubChem CID82186853
Molecular FormulaC15H19NO6
Molecular Weight309.32 g/mol
Exact Mass309.12
IUPAC Name2-[carboxymethyl-(4-hydroxy-5,7-dimethyl-3,4-dihydro-2H-chromen-3-yl)amino]acetic acid
SMILESCc1cc(C)c2c(c1)OCC(N(CC(=O)O)CC(=O)O)C2O
InChIInChI=1S/C15H19NO6/c1-8-3-9(2)14-11(4-8)22-7-10(15(14)21)16(5-12(17)18)6-13(19)20/h3-4,10,15,21H,5-7H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyUBLIQRSNSABICU-UHFFFAOYSA-N
XLogP0.57
TPSA107.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-chloro-4-hydroxy-5,7-dimethyl-3,4-dihydro-2H-chromen-3-yl)-methylamino]acetic acid
CID 82187021
2-[(4-hydroxy-6-methyl-3,4-dihydro-2H-chromen-3-yl)-methylamino]acetic acid
CID 82186631
6,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepine-5-carboxylic acid
CID 82242134
5,7-dimethyl-3-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol
CID 82186828
2-(methoxymethyl)-4,6-dimethyl-2,3-dihydro-1-benzofuran-3-ol
CID 174765051
2-[(3R)-6-methyl-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 98789085
2-[cyclopropylmethyl-[3-[(2,4,6-trimethylphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122073514
(3S,4S)-4-amino-5-fluoro-7-methyl-3,4-dihydro-2H-chromen-3-ol
CID 130755556
5,7-dimethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82188162
2-[carboxymethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid
CID 63644567
4-[[(4S)-4-hydroxy-7-methyl-3,4-dihydro-2H-chromen-3-yl]amino]pentanoic acid
CID 163510064
2-[carboxymethyl(oxiran-2-yl)amino]acetic acid
CID 87519031

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-(4-hydroxy-5,7-dimethyl-3,4-dihydro-2H-chromen-3-yl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-(4-hydroxy-5,7-dimethyl-3,4-dihydro-2H-chromen-3-yl)amino]acetic acid (CID 82186853) is 2-[carboxymethyl-(4-hydroxy-5,7-dimethyl-3,4-dihydro-2H-chromen-3-yl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-(4-hydroxy-5,7-dimethyl-3,4-dihydro-2H-chromen-3-yl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-(4-hydroxy-5,7-dimethyl-3,4-dihydro-2H-chromen-3-yl)amino]acetic acid is Cc1cc(C)c2c(c1)OCC(N(CC(=O)O)CC(=O)O)C2O.
What is the InChIKey of 2-[carboxymethyl-(4-hydroxy-5,7-dimethyl-3,4-dihydro-2H-chromen-3-yl)amino]acetic acid?
The InChIKey is UBLIQRSNSABICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO6/c1-8-3-9(2)14-11(4-8)22-7-10(15(14)21)16(5-12(17)18)6-13(19)20/h3-4,10,15,21H,5-7H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[carboxymethyl-(4-hydroxy-5,7-dimethyl-3,4-dihydro-2H-chromen-3-yl)amino]acetic acid?
2-[carboxymethyl-(4-hydroxy-5,7-dimethyl-3,4-dihydro-2H-chromen-3-yl)amino]acetic acid has a molecular weight of 309.32 g/mol, XLogP of 0.57, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-(4-hydroxy-5,7-dimethyl-3,4-dihydro-2H-chromen-3-yl)amino]acetic acid is sourced from PubChem (CID 82186853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).