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

C14H17NO5 — CID 119350891

IUPAC3-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid
SMILESCOc1ccc2c(c1)CC(C(=O)NCCC(=O)O)CO2
InChIInChI=1S/C14H17NO5/c1-19-11-2-3-12-9(7-11)6-10(8-20-12)14(18)15-5-4-13(16)17/h2-3,7,10H,4-6,8H2,1H3,(H,15,18)(H,16,17)
InChIKeyVIPANKSVEFCOJE-UHFFFAOYSA-N
MW279.29 g/mol
LogP0.84
Rot. Bonds5

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

3-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid (PubChem CID 119350891) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 3-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid
PubChem CID119350891
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name3-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid
SMILESCOc1ccc2c(c1)CC(C(=O)NCCC(=O)O)CO2
InChIInChI=1S/C14H17NO5/c1-19-11-2-3-12-9(7-11)6-10(8-20-12)14(18)15-5-4-13(16)17/h2-3,7,10H,4-6,8H2,1H3,(H,15,18)(H,16,17)
InChIKeyVIPANKSVEFCOJE-UHFFFAOYSA-N
XLogP0.84
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-N-propyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578230
3-[[(3S)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]amino]propanoic acid
CID 124704665
6-methoxy-N-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578278
N-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578299
(3S)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7061285
(3S)-N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713329
(3R)-N-(3-cyclohexyloxypropyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 97149559
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
6-methoxy-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578255
(3R)-N-[2-(3,4-diethoxyphenyl)ethyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713318
(3S)-N-[3-(1-adamantyloxy)propyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713321

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid (CID 119350891) is 3-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid is COc1ccc2c(c1)CC(C(=O)NCCC(=O)O)CO2.
What is the InChIKey of 3-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid?
The InChIKey is VIPANKSVEFCOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-19-11-2-3-12-9(7-11)6-10(8-20-12)14(18)15-5-4-13(16)17/h2-3,7,10H,4-6,8H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 3-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid?
3-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid has a molecular weight of 279.29 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119350891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).