3-amino-1-(3,4-dihydro-2H-chromene-3-carbonyl)pyrrolidine-3-carboxylic acid

C15H18N2O4 — CID 107323430

IUPAC3-amino-1-(3,4-dihydro-2H-chromene-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(C(=O)C2COc3ccccc3C2)C1
InChIInChI=1S/C15H18N2O4/c16-15(14(19)20)5-6-17(9-15)13(18)11-7-10-3-1-2-4-12(10)21-8-11/h1-4,11H,5-9,16H2,(H,19,20)
InChIKeyRWADZFDMZROJAF-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.25
Rot. Bonds2

About 3-amino-1-(3,4-dihydro-2H-chromene-3-carbonyl)pyrrolidine-3-carboxylic acid

3-amino-1-(3,4-dihydro-2H-chromene-3-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 107323430) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-amino-1-(3,4-dihydro-2H-chromene-3-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(3,4-dihydro-2H-chromene-3-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID107323430
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name3-amino-1-(3,4-dihydro-2H-chromene-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(C(=O)C2COc3ccccc3C2)C1
InChIInChI=1S/C15H18N2O4/c16-15(14(19)20)5-6-17(9-15)13(18)11-7-10-3-1-2-4-12(10)21-8-11/h1-4,11H,5-9,16H2,(H,19,20)
InChIKeyRWADZFDMZROJAF-UHFFFAOYSA-N
XLogP0.25
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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(4-benzoylpiperazin-1-yl)-[(3S)-3,4-dihydro-2H-chromen-3-yl]methanone
CID 51925423
3,4-dihydro-2H-chromen-3-yl(piperazin-1-yl)methanone
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3,4-dihydro-2H-chromen-3-yl-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 134022339
3,4-dihydro-2H-chromen-3-yl-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900916
(3R)-1-(3,4-dihydro-2H-chromene-3-carbonyl)piperidine-3-carboxylic acid
CID 81126614
[(3R)-3,4-dihydro-2H-chromen-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
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3-amino-1-(cyclopropanecarbonyl)pyrrolidine-3-carboxylic acid
CID 107323128
3,4-dihydro-2H-chromene-3-carboxylic acid
CID 162072408
3,4-dihydro-2H-chromen-3-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 22578087
8-(3,4-dihydro-2H-chromene-3-carbonyl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3,4-dihydro-2H-chromene-3-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(3,4-dihydro-2H-chromene-3-carbonyl)pyrrolidine-3-carboxylic acid (CID 107323430) is 3-amino-1-(3,4-dihydro-2H-chromene-3-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(3,4-dihydro-2H-chromene-3-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(3,4-dihydro-2H-chromene-3-carbonyl)pyrrolidine-3-carboxylic acid is NC1(C(=O)O)CCN(C(=O)C2COc3ccccc3C2)C1.
What is the InChIKey of 3-amino-1-(3,4-dihydro-2H-chromene-3-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is RWADZFDMZROJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c16-15(14(19)20)5-6-17(9-15)13(18)11-7-10-3-1-2-4-12(10)21-8-11/h1-4,11H,5-9,16H2,(H,19,20).
What are the key properties of 3-amino-1-(3,4-dihydro-2H-chromene-3-carbonyl)pyrrolidine-3-carboxylic acid?
3-amino-1-(3,4-dihydro-2H-chromene-3-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3,4-dihydro-2H-chromene-3-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107323430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).