2-[3,4-dihydro-2H-chromen-4-yl(2-methylpropyl)amino]acetic acid

C15H21NO3 — CID 65064001

IUPAC2-[3,4-dihydro-2H-chromen-4-yl(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C1CCOc2ccccc21
InChIInChI=1S/C15H21NO3/c1-11(2)9-16(10-15(17)18)13-7-8-19-14-6-4-3-5-12(13)14/h3-6,11,13H,7-10H2,1-2H3,(H,17,18)
InChIKeyRNJIIOFBGANZMZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.55
Rot. Bonds5

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

2-[3,4-dihydro-2H-chromen-4-yl(2-methylpropyl)amino]acetic acid (PubChem CID 65064001) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[3,4-dihydro-2H-chromen-4-yl(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[3,4-dihydro-2H-chromen-4-yl(2-methylpropyl)amino]acetic acid
PubChem CID65064001
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[3,4-dihydro-2H-chromen-4-yl(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C1CCOc2ccccc21
InChIInChI=1S/C15H21NO3/c1-11(2)9-16(10-15(17)18)13-7-8-19-14-6-4-3-5-12(13)14/h3-6,11,13H,7-10H2,1-2H3,(H,17,18)
InChIKeyRNJIIOFBGANZMZ-UHFFFAOYSA-N
XLogP2.55
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3,4-dihydro-2H-chromene-4-carbonyl(2-methylpropyl)amino]acetic acid
CID 63708820
2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)-(2-methylpropyl)amino]acetic acid
CID 81131566
2-[2-methylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
CID 65064011
4-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanoic acid
CID 104772492
3-[tert-butyl(3,4-dihydro-2H-chromen-4-yl)amino]propanoic acid
CID 65058709
1-(3,4-dihydro-2H-chromen-4-yl)-1-methyl-3-propan-2-ylurea
CID 110750876
3-[cyclopropyl(3,4-dihydro-2H-chromen-4-yl)amino]propanoic acid
CID 65054445
2-[2-methylpropyl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]acetic acid
CID 65065018
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methylbutanoic acid
CID 113451184
2-[3,4-dihydro-2H-chromene-4-carbonyl(ethyl)amino]acetic acid
CID 63709185
(3S)-3-[[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]amino]butanoic acid
CID 97211252
2-[2-methylpropyl(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)amino]acetamide
CID 103983374

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-dihydro-2H-chromen-4-yl(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[3,4-dihydro-2H-chromen-4-yl(2-methylpropyl)amino]acetic acid (CID 65064001) is 2-[3,4-dihydro-2H-chromen-4-yl(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[3,4-dihydro-2H-chromen-4-yl(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[3,4-dihydro-2H-chromen-4-yl(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)C1CCOc2ccccc21.
What is the InChIKey of 2-[3,4-dihydro-2H-chromen-4-yl(2-methylpropyl)amino]acetic acid?
The InChIKey is RNJIIOFBGANZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11(2)9-16(10-15(17)18)13-7-8-19-14-6-4-3-5-12(13)14/h3-6,11,13H,7-10H2,1-2H3,(H,17,18).
What are the key properties of 2-[3,4-dihydro-2H-chromen-4-yl(2-methylpropyl)amino]acetic acid?
2-[3,4-dihydro-2H-chromen-4-yl(2-methylpropyl)amino]acetic acid has a molecular weight of 263.34 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-dihydro-2H-chromen-4-yl(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 65064001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).