(2R)-1-[2-[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid

C16H20N2O4 — CID 124703387

IUPAC(2R)-1-[2-[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
SMILESO=C(CN1CCC[C@@H]1C(=O)O)N[C@@H]1CCOc2ccccc21
InChIInChI=1S/C16H20N2O4/c19-15(10-18-8-3-5-13(18)16(20)21)17-12-7-9-22-14-6-2-1-4-11(12)14/h1-2,4,6,12-13H,3,5,7-10H2,(H,17,19)(H,20,21)/t12-,13-/m1/s1
InChIKeyJPDVQBZGFWTLHD-CHWSQXEVSA-N
MW304.35 g/mol
LogP1.18
Rot. Bonds4

About (2R)-1-[2-[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid

(2R)-1-[2-[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid (PubChem CID 124703387) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is (2R)-1-[2-[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
PubChem CID124703387
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name(2R)-1-[2-[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
SMILESO=C(CN1CCC[C@@H]1C(=O)O)N[C@@H]1CCOc2ccccc21
InChIInChI=1S/C16H20N2O4/c19-15(10-18-8-3-5-13(18)16(20)21)17-12-7-9-22-14-6-2-1-4-11(12)14/h1-2,4,6,12-13H,3,5,7-10H2,(H,17,19)(H,20,21)/t12-,13-/m1/s1
InChIKeyJPDVQBZGFWTLHD-CHWSQXEVSA-N
XLogP1.18
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[2-[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(2S,3S)-2,3-dimethylthiomorpholin-4-yl]acetamide
CID 95630096
2-(4-aminopiperidin-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide;hydrochloride
CID 119907719
5-(3,4-dihydro-2H-chromen-4-ylamino)-5-oxopentanoic acid
CID 43580055
N-(3,4-dihydro-2H-chromen-4-yl)-2-(prop-2-enylamino)acetamide
CID 78912235
2-benzylsulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 18164391
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119268905
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 42897100
3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 62365751
(2S)-1-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]pyrrolidine-2-carboxylic acid
CID 125118742
(2R)-1-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]pyrrolidine-2-carboxylic acid
CID 124703488
2-(benzotriazol-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 18193012
4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)butanamide
CID 63309102

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid (CID 124703387) is (2R)-1-[2-[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid is O=C(CN1CCC[C@@H]1C(=O)O)N[C@@H]1CCOc2ccccc21.
What is the InChIKey of (2R)-1-[2-[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is JPDVQBZGFWTLHD-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H20N2O4/c19-15(10-18-8-3-5-13(18)16(20)21)17-12-7-9-22-14-6-2-1-4-11(12)14/h1-2,4,6,12-13H,3,5,7-10H2,(H,17,19)(H,20,21)/t12-,13-/m1/s1.
What are the key properties of (2R)-1-[2-[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[2-[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 304.35 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 124703387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).