3-(3,4-dihydro-2H-chromen-4-ylamino)-2-hydroxypropanamide

C12H16N2O3 — CID 106171125

IUPAC3-(3,4-dihydro-2H-chromen-4-ylamino)-2-hydroxypropanamide
SMILESNC(=O)C(O)CNC1CCOc2ccccc21
InChIInChI=1S/C12H16N2O3/c13-12(16)10(15)7-14-9-5-6-17-11-4-2-1-3-8(9)11/h1-4,9-10,14-15H,5-7H2,(H2,13,16)
InChIKeyNDYIRDVPDQKLES-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.05
Rot. Bonds4

About 3-(3,4-dihydro-2H-chromen-4-ylamino)-2-hydroxypropanamide

3-(3,4-dihydro-2H-chromen-4-ylamino)-2-hydroxypropanamide (PubChem CID 106171125) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-chromen-4-ylamino)-2-hydroxypropanamide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-chromen-4-ylamino)-2-hydroxypropanamide
PubChem CID106171125
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name3-(3,4-dihydro-2H-chromen-4-ylamino)-2-hydroxypropanamide
SMILESNC(=O)C(O)CNC1CCOc2ccccc21
InChIInChI=1S/C12H16N2O3/c13-12(16)10(15)7-14-9-5-6-17-11-4-2-1-3-8(9)11/h1-4,9-10,14-15H,5-7H2,(H2,13,16)
InChIKeyNDYIRDVPDQKLES-UHFFFAOYSA-N
XLogP-0.05
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dihydro-2H-chromen-4-ylamino)-2-methylpropanamide
CID 62364889
1-(3,4-dihydro-2H-chromen-4-ylamino)butan-2-ol
CID 62365912
1-N-(3,4-dihydro-2H-chromen-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913047
N-(2-cyclopropylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 115713897
1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-hydroxyethyl)urea
CID 97083391
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43190759
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119268905
(2S)-3-(3,4-dihydro-2H-chromene-4-carbonylamino)-2-hydroxypropanoic acid
CID 107833282
3-(cyclohexylmethylamino)-N-(3,4-dihydro-2H-chromen-4-yl)-2-hydroxypropanamide
CID 146076984
2-(3,4-dihydro-2H-chromen-4-ylamino)-N-pentan-2-ylacetamide
CID 60693874
(4R)-N-iodo-3,4-dihydro-2H-chromen-4-amine
CID 163411426
2-[1-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]cyclopropyl]ethanol
CID 114750660

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-chromen-4-ylamino)-2-hydroxypropanamide?
The IUPAC name of 3-(3,4-dihydro-2H-chromen-4-ylamino)-2-hydroxypropanamide (CID 106171125) is 3-(3,4-dihydro-2H-chromen-4-ylamino)-2-hydroxypropanamide.
What is the SMILES notation for 3-(3,4-dihydro-2H-chromen-4-ylamino)-2-hydroxypropanamide?
The canonical SMILES for 3-(3,4-dihydro-2H-chromen-4-ylamino)-2-hydroxypropanamide is NC(=O)C(O)CNC1CCOc2ccccc21.
What is the InChIKey of 3-(3,4-dihydro-2H-chromen-4-ylamino)-2-hydroxypropanamide?
The InChIKey is NDYIRDVPDQKLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c13-12(16)10(15)7-14-9-5-6-17-11-4-2-1-3-8(9)11/h1-4,9-10,14-15H,5-7H2,(H2,13,16).
What are the key properties of 3-(3,4-dihydro-2H-chromen-4-ylamino)-2-hydroxypropanamide?
3-(3,4-dihydro-2H-chromen-4-ylamino)-2-hydroxypropanamide has a molecular weight of 236.27 g/mol, XLogP of -0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-chromen-4-ylamino)-2-hydroxypropanamide is sourced from PubChem (CID 106171125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).