2-(4H-chromen-4-yloxycarbonylamino)propanoic acid

C13H13NO5 — CID 141356200

IUPAC2-(4H-chromen-4-yloxycarbonylamino)propanoic acid
SMILESCC(NC(=O)OC1C=COc2ccccc21)C(=O)O
InChIInChI=1S/C13H13NO5/c1-8(12(15)16)14-13(17)19-11-6-7-18-10-5-3-2-4-9(10)11/h2-8,11H,1H3,(H,14,17)(H,15,16)
InChIKeyAHIYPVZFCSRGCQ-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.83
Rot. Bonds3

About 2-(4H-chromen-4-yloxycarbonylamino)propanoic acid

2-(4H-chromen-4-yloxycarbonylamino)propanoic acid (PubChem CID 141356200) has the molecular formula C13H13NO5 and a molecular weight of 263.25 g/mol. Its IUPAC name is 2-(4H-chromen-4-yloxycarbonylamino)propanoic acid.

Molecular Properties

Compound Name2-(4H-chromen-4-yloxycarbonylamino)propanoic acid
PubChem CID141356200
Molecular FormulaC13H13NO5
Molecular Weight263.25 g/mol
Exact Mass263.08
IUPAC Name2-(4H-chromen-4-yloxycarbonylamino)propanoic acid
SMILESCC(NC(=O)OC1C=COc2ccccc21)C(=O)O
InChIInChI=1S/C13H13NO5/c1-8(12(15)16)14-13(17)19-11-6-7-18-10-5-3-2-4-9(10)11/h2-8,11H,1H3,(H,14,17)(H,15,16)
InChIKeyAHIYPVZFCSRGCQ-UHFFFAOYSA-N
XLogP1.83
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4H-chromene-4-carboxylate
CID 91620312
2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride
CID 77247911
(2S)-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)propanoic acid;hydrate
CID 45157536
2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)propanoic acid
CID 55063461
(2S)-2-(methoxycarbonylamino)propanoic acid;sulfane
CID 159664208
(2S)-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid
CID 78986376
(2S)-2-[[2-(9H-fluoren-9-yl)acetyl]amino]propanoic acid
CID 172800253
2-[(2-chlorophenoxy)carbonylamino]propanoic acid
CID 83825067
(2S)-2-[[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-4-methylpentanoyl]amino]propanoic acid
CID 22943221
4H-chromen-4-ol;hydrochloride
CID 70045554
2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119225504
2-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonylamino)propanoic acid
CID 66396862

Frequently Asked Questions

What is the IUPAC name of 2-(4H-chromen-4-yloxycarbonylamino)propanoic acid?
The IUPAC name of 2-(4H-chromen-4-yloxycarbonylamino)propanoic acid (CID 141356200) is 2-(4H-chromen-4-yloxycarbonylamino)propanoic acid.
What is the SMILES notation for 2-(4H-chromen-4-yloxycarbonylamino)propanoic acid?
The canonical SMILES for 2-(4H-chromen-4-yloxycarbonylamino)propanoic acid is CC(NC(=O)OC1C=COc2ccccc21)C(=O)O.
What is the InChIKey of 2-(4H-chromen-4-yloxycarbonylamino)propanoic acid?
The InChIKey is AHIYPVZFCSRGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5/c1-8(12(15)16)14-13(17)19-11-6-7-18-10-5-3-2-4-9(10)11/h2-8,11H,1H3,(H,14,17)(H,15,16).
What are the key properties of 2-(4H-chromen-4-yloxycarbonylamino)propanoic acid?
2-(4H-chromen-4-yloxycarbonylamino)propanoic acid has a molecular weight of 263.25 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4H-chromen-4-yloxycarbonylamino)propanoic acid is sourced from PubChem (CID 141356200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).