2-(3,4-dihydro-2H-thiochromen-4-ylamino)acetic acid

C11H13NO2S — CID 43135138

IUPAC2-(3,4-dihydro-2H-thiochromen-4-ylamino)acetic acid
SMILESO=C(O)CNC1CCSc2ccccc21
InChIInChI=1S/C11H13NO2S/c13-11(14)7-12-9-5-6-15-10-4-2-1-3-8(9)10/h1-4,9,12H,5-7H2,(H,13,14)
InChIKeyCDCBFACCKAOTKL-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.90
Rot. Bonds3

About 2-(3,4-dihydro-2H-thiochromen-4-ylamino)acetic acid

2-(3,4-dihydro-2H-thiochromen-4-ylamino)acetic acid (PubChem CID 43135138) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-thiochromen-4-ylamino)acetic acid.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-thiochromen-4-ylamino)acetic acid
PubChem CID43135138
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name2-(3,4-dihydro-2H-thiochromen-4-ylamino)acetic acid
SMILESO=C(O)CNC1CCSc2ccccc21
InChIInChI=1S/C11H13NO2S/c13-11(14)7-12-9-5-6-15-10-4-2-1-3-8(9)10/h1-4,9,12H,5-7H2,(H,13,14)
InChIKeyCDCBFACCKAOTKL-UHFFFAOYSA-N
XLogP1.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid
CID 13100819
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid;hydrochloride
CID 22976313
N-(cyclopropylmethyl)-2-(2,3,4,5-tetrahydro-1-benzothiepin-5-ylamino)acetamide
CID 75483868
3-(3,4-dihydro-2H-thiochromen-4-ylamino)propane-1,2-diol
CID 60658466
3-(3,4-dihydro-2H-thiochromen-4-ylamino)-2,2-difluoropropan-1-ol
CID 113463339
3-(3,4-dihydro-2H-thiochromen-4-ylamino)-1,1-difluoropropan-2-ol
CID 103787915
N-[(2-chlorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43178084
3-(3,4-dihydro-2H-thiochromen-4-ylamino)-N-(2-methoxyethyl)propanamide
CID 115711938
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-fluorophenyl)acetamide
CID 8933642
2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-ethylbutanamide
CID 79810400
3-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]benzene-1,2-diol
CID 61317675
(2S)-2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenylacetamide
CID 104897215

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-thiochromen-4-ylamino)acetic acid?
The IUPAC name of 2-(3,4-dihydro-2H-thiochromen-4-ylamino)acetic acid (CID 43135138) is 2-(3,4-dihydro-2H-thiochromen-4-ylamino)acetic acid.
What is the SMILES notation for 2-(3,4-dihydro-2H-thiochromen-4-ylamino)acetic acid?
The canonical SMILES for 2-(3,4-dihydro-2H-thiochromen-4-ylamino)acetic acid is O=C(O)CNC1CCSc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-thiochromen-4-ylamino)acetic acid?
The InChIKey is CDCBFACCKAOTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c13-11(14)7-12-9-5-6-15-10-4-2-1-3-8(9)10/h1-4,9,12H,5-7H2,(H,13,14).
What are the key properties of 2-(3,4-dihydro-2H-thiochromen-4-ylamino)acetic acid?
2-(3,4-dihydro-2H-thiochromen-4-ylamino)acetic acid has a molecular weight of 223.30 g/mol, XLogP of 1.90, 3 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-thiochromen-4-ylamino)acetic acid is sourced from PubChem (CID 43135138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).