2-[5-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-2-methoxyphenoxy]acetic acid

C19H19NO6 — CID 97233703

IUPAC2-[5-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-2-methoxyphenoxy]acetic acid
SMILESCOc1ccc(C(=O)N[C@@H]2COc3ccccc3C2)cc1OCC(=O)O
InChIInChI=1S/C19H19NO6/c1-24-16-7-6-13(9-17(16)26-11-18(21)22)19(23)20-14-8-12-4-2-3-5-15(12)25-10-14/h2-7,9,14H,8,10-11H2,1H3,(H,20,23)(H,21,22)/t14-/m0/s1
InChIKeyDTPDTMSFHGRYNK-AWEZNQCLSA-N
MW357.36 g/mol
LogP1.89
Rot. Bonds6

About 2-[5-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-2-methoxyphenoxy]acetic acid

2-[5-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-2-methoxyphenoxy]acetic acid (PubChem CID 97233703) has the molecular formula C19H19NO6 and a molecular weight of 357.36 g/mol. Its IUPAC name is 2-[5-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-2-methoxyphenoxy]acetic acid.

Molecular Properties

Compound Name2-[5-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-2-methoxyphenoxy]acetic acid
PubChem CID97233703
Molecular FormulaC19H19NO6
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Name2-[5-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-2-methoxyphenoxy]acetic acid
SMILESCOc1ccc(C(=O)N[C@@H]2COc3ccccc3C2)cc1OCC(=O)O
InChIInChI=1S/C19H19NO6/c1-24-16-7-6-13(9-17(16)26-11-18(21)22)19(23)20-14-8-12-4-2-3-5-15(12)25-10-14/h2-7,9,14H,8,10-11H2,1H3,(H,20,23)(H,21,22)/t14-/m0/s1
InChIKeyDTPDTMSFHGRYNK-AWEZNQCLSA-N
XLogP1.89
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide
CID 93499192
N-(3,4-dihydro-2H-chromen-3-yl)-4-(dimethylamino)benzamide
CID 110751024
N-[2-[[(3S)-3,4-dihydro-2H-chromen-3-yl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 94466660
4-chloro-N-(3,4-dihydro-2H-chromen-3-yl)benzamide
CID 110751510
N-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenoxy)acetamide
CID 110751539
N-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-2H-benzotriazole-5-carboxamide
CID 129396887
N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-2H-benzotriazole-5-carboxamide
CID 129396888
2-[4-[[[(3R)-3,4-dihydro-2H-chromen-3-yl]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 124683552
N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 94466647
methyl 4-(3,4-dihydro-2H-chromen-3-ylamino)-4-oxobutanoate
CID 110751478
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methoxy-4-prop-2-enoxybenzamide
CID 51278188
3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 55339885

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-2-methoxyphenoxy]acetic acid?
The IUPAC name of 2-[5-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-2-methoxyphenoxy]acetic acid (CID 97233703) is 2-[5-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-2-methoxyphenoxy]acetic acid.
What is the SMILES notation for 2-[5-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-2-methoxyphenoxy]acetic acid?
The canonical SMILES for 2-[5-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-2-methoxyphenoxy]acetic acid is COc1ccc(C(=O)N[C@@H]2COc3ccccc3C2)cc1OCC(=O)O.
What is the InChIKey of 2-[5-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-2-methoxyphenoxy]acetic acid?
The InChIKey is DTPDTMSFHGRYNK-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19NO6/c1-24-16-7-6-13(9-17(16)26-11-18(21)22)19(23)20-14-8-12-4-2-3-5-15(12)25-10-14/h2-7,9,14H,8,10-11H2,1H3,(H,20,23)(H,21,22)/t14-/m0/s1.
What are the key properties of 2-[5-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-2-methoxyphenoxy]acetic acid?
2-[5-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-2-methoxyphenoxy]acetic acid has a molecular weight of 357.36 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-2-methoxyphenoxy]acetic acid is sourced from PubChem (CID 97233703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).