2-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)-methylamino]propanoic acid

C15H19NO5 — CID 119358196

IUPAC2-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)-methylamino]propanoic acid
SMILESCOc1ccc2c(c1)CC(C(=O)N(C)C(C)C(=O)O)CO2
InChIInChI=1S/C15H19NO5/c1-9(15(18)19)16(2)14(17)11-6-10-7-12(20-3)4-5-13(10)21-8-11/h4-5,7,9,11H,6,8H2,1-3H3,(H,18,19)
InChIKeyNXJLPEMUQRTZOK-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.18
Rot. Bonds4

About 2-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)-methylamino]propanoic acid

2-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)-methylamino]propanoic acid (PubChem CID 119358196) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)-methylamino]propanoic acid
PubChem CID119358196
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)-methylamino]propanoic acid
SMILESCOc1ccc2c(c1)CC(C(=O)N(C)C(C)C(=O)O)CO2
InChIInChI=1S/C15H19NO5/c1-9(15(18)19)16(2)14(17)11-6-10-7-12(20-3)4-5-13(10)21-8-11/h4-5,7,9,11H,6,8H2,1-3H3,(H,18,19)
InChIKeyNXJLPEMUQRTZOK-UHFFFAOYSA-N
XLogP1.18
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7061285
6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 47170033
2-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]-3-methylbutanoic acid
CID 119348268
(3S)-6-methoxy-N-methyl-N-(1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 124617356
(2R)-3-[[(3S)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]-methylamino]-2-methylpropanoic acid
CID 97324496
6-propan-2-yloxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 58164198
6-methoxy-N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 120827730
N-[(2R)-2-(ethylamino)propyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 120652297
(3S)-N-cyclopropyl-6-methoxy-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 124627199
N-[(2R)-2-(ethylamino)propyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 120652296
3-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid
CID 119350891
6-methoxy-N-propyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578230

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)-methylamino]propanoic acid?
The IUPAC name of 2-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)-methylamino]propanoic acid (CID 119358196) is 2-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)-methylamino]propanoic acid.
What is the SMILES notation for 2-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)-methylamino]propanoic acid?
The canonical SMILES for 2-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)-methylamino]propanoic acid is COc1ccc2c(c1)CC(C(=O)N(C)C(C)C(=O)O)CO2.
What is the InChIKey of 2-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)-methylamino]propanoic acid?
The InChIKey is NXJLPEMUQRTZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-9(15(18)19)16(2)14(17)11-6-10-7-12(20-3)4-5-13(10)21-8-11/h4-5,7,9,11H,6,8H2,1-3H3,(H,18,19).
What are the key properties of 2-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)-methylamino]propanoic acid?
2-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)-methylamino]propanoic acid has a molecular weight of 293.32 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)-methylamino]propanoic acid is sourced from PubChem (CID 119358196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).