2-[3,4-dihydro-2H-chromen-4-ylcarbamoyl(propyl)amino]acetic acid

C15H20N2O4 — CID 62366625

IUPAC2-[3,4-dihydro-2H-chromen-4-ylcarbamoyl(propyl)amino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)NC1CCOc2ccccc21
InChIInChI=1S/C15H20N2O4/c1-2-8-17(10-14(18)19)15(20)16-12-7-9-21-13-6-4-3-5-11(12)13/h3-6,12H,2,7-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyVRRRFVSWPJDLGU-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.02
Rot. Bonds5

About 2-[3,4-dihydro-2H-chromen-4-ylcarbamoyl(propyl)amino]acetic acid

2-[3,4-dihydro-2H-chromen-4-ylcarbamoyl(propyl)amino]acetic acid (PubChem CID 62366625) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[3,4-dihydro-2H-chromen-4-ylcarbamoyl(propyl)amino]acetic acid.

Molecular Properties

Compound Name2-[3,4-dihydro-2H-chromen-4-ylcarbamoyl(propyl)amino]acetic acid
PubChem CID62366625
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-[3,4-dihydro-2H-chromen-4-ylcarbamoyl(propyl)amino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)NC1CCOc2ccccc21
InChIInChI=1S/C15H20N2O4/c1-2-8-17(10-14(18)19)15(20)16-12-7-9-21-13-6-4-3-5-11(12)13/h3-6,12H,2,7-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyVRRRFVSWPJDLGU-UHFFFAOYSA-N
XLogP2.02
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxyethyl)-1-propyl-3-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)urea
CID 110913072
2-[[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl]-propylamino]-N-propylacetamide
CID 87018470
2-[3,4-dihydro-2H-chromene-4-carbonyl(ethyl)amino]acetic acid
CID 63709185
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-ethylsulfonylbenzamide
CID 8819779
methyl 2-[3,4-dihydro-2H-chromene-4-carbonyl(propyl)amino]acetate
CID 63237160
5-(3,4-dihydro-2H-chromen-4-ylamino)-5-oxopentanoic acid
CID 43580055
2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)pentanoic acid
CID 62366276
ethyl 2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoacetate
CID 62365066
2-amino-N-(3,4-dihydro-2H-chromen-4-yl)pentanamide;hydrochloride
CID 119268919
1-benzyl-1-(2-hydroxyethyl)-3-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)urea
CID 110913070
1-(3,4-dihydro-2H-chromen-4-yl)-3-[2-(dimethylamino)ethyl]urea
CID 110866006
1-(3,4-dihydro-2H-chromen-4-yl)-2-propylguanidine;hydroiodide
CID 75418867

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-dihydro-2H-chromen-4-ylcarbamoyl(propyl)amino]acetic acid?
The IUPAC name of 2-[3,4-dihydro-2H-chromen-4-ylcarbamoyl(propyl)amino]acetic acid (CID 62366625) is 2-[3,4-dihydro-2H-chromen-4-ylcarbamoyl(propyl)amino]acetic acid.
What is the SMILES notation for 2-[3,4-dihydro-2H-chromen-4-ylcarbamoyl(propyl)amino]acetic acid?
The canonical SMILES for 2-[3,4-dihydro-2H-chromen-4-ylcarbamoyl(propyl)amino]acetic acid is CCCN(CC(=O)O)C(=O)NC1CCOc2ccccc21.
What is the InChIKey of 2-[3,4-dihydro-2H-chromen-4-ylcarbamoyl(propyl)amino]acetic acid?
The InChIKey is VRRRFVSWPJDLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-2-8-17(10-14(18)19)15(20)16-12-7-9-21-13-6-4-3-5-11(12)13/h3-6,12H,2,7-10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[3,4-dihydro-2H-chromen-4-ylcarbamoyl(propyl)amino]acetic acid?
2-[3,4-dihydro-2H-chromen-4-ylcarbamoyl(propyl)amino]acetic acid has a molecular weight of 292.33 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-dihydro-2H-chromen-4-ylcarbamoyl(propyl)amino]acetic acid is sourced from PubChem (CID 62366625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).