2-[2-(dimethylamino)ethyl-[(3R)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]amino]acetic acid

C17H24N2O5 — CID 125153337

IUPAC2-[2-(dimethylamino)ethyl-[(3R)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]amino]acetic acid
SMILESCOc1ccc2c(c1)OC[C@H](C(=O)N(CCN(C)C)CC(=O)O)C2
InChIInChI=1S/C17H24N2O5/c1-18(2)6-7-19(10-16(20)21)17(22)13-8-12-4-5-14(23-3)9-15(12)24-11-13/h4-5,9,13H,6-8,10-11H2,1-3H3,(H,20,21)/t13-/m1/s1
InChIKeyUCZAXYJPCVPUOQ-CYBMUJFWSA-N
MW336.39 g/mol
LogP0.72
Rot. Bonds7

About 2-[2-(dimethylamino)ethyl-[(3R)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]amino]acetic acid

2-[2-(dimethylamino)ethyl-[(3R)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]amino]acetic acid (PubChem CID 125153337) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-[(3R)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-[(3R)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]amino]acetic acid
PubChem CID125153337
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Name2-[2-(dimethylamino)ethyl-[(3R)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]amino]acetic acid
SMILESCOc1ccc2c(c1)OC[C@H](C(=O)N(CCN(C)C)CC(=O)O)C2
InChIInChI=1S/C17H24N2O5/c1-18(2)6-7-19(10-16(20)21)17(22)13-8-12-4-5-14(23-3)9-15(12)24-11-13/h4-5,9,13H,6-8,10-11H2,1-3H3,(H,20,21)/t13-/m1/s1
InChIKeyUCZAXYJPCVPUOQ-CYBMUJFWSA-N
XLogP0.72
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(dimethylamino)ethyl-[(3R)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]amino]acetic acid with MolForge

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Related Compounds

methyl 3-[ethyl-[(3R)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]amino]propanoate
CID 94821763
(2R)-3-[[(3S)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]-methylamino]-2-methylpropanoic acid
CID 97324496
N-(2-hydroxyethyl)-7-methoxy-N-[(E)-3-phenylprop-2-enyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72931982
N-(2-hydroxyethyl)-7-methoxy-N-(3-phenylprop-2-enyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 91940787
ethyl (3S)-7-methoxy-3,4-dihydro-2H-chromene-3-carboxylate
CID 86334083
7-methoxy-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 49193904
(3R)-7-methoxy-N-methyl-N-(thiophen-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95050038
(3R)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 97146785
N-benzyl-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134041165
(3R)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-7-methoxy-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 52801470
(3R)-7-methoxy-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97113013
methyl 2-[(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]acetate
CID 49192126

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-[(3R)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-[(3R)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]amino]acetic acid (CID 125153337) is 2-[2-(dimethylamino)ethyl-[(3R)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-[(3R)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-[(3R)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]amino]acetic acid is COc1ccc2c(c1)OC[C@H](C(=O)N(CCN(C)C)CC(=O)O)C2.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-[(3R)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]amino]acetic acid?
The InChIKey is UCZAXYJPCVPUOQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-18(2)6-7-19(10-16(20)21)17(22)13-8-12-4-5-14(23-3)9-15(12)24-11-13/h4-5,9,13H,6-8,10-11H2,1-3H3,(H,20,21)/t13-/m1/s1.
What are the key properties of 2-[2-(dimethylamino)ethyl-[(3R)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]amino]acetic acid?
2-[2-(dimethylamino)ethyl-[(3R)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]amino]acetic acid has a molecular weight of 336.39 g/mol, XLogP of 0.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-[(3R)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 125153337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).