3-[(3S)-1-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]piperidin-3-yl]propanoic acid

C18H23NO4 — CID 124700551

IUPAC3-[(3S)-1-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]piperidin-3-yl]propanoic acid
SMILESO=C(O)CC[C@@H]1CCCN(C(=O)[C@@H]2CCOc3ccccc32)C1
InChIInChI=1S/C18H23NO4/c20-17(21)8-7-13-4-3-10-19(12-13)18(22)15-9-11-23-16-6-2-1-5-14(15)16/h1-2,5-6,13,15H,3-4,7-12H2,(H,20,21)/t13-,15+/m0/s1
InChIKeyHKAWESNXISVKOE-DZGCQCFKSA-N
MW317.38 g/mol
LogP2.66
Rot. Bonds4

About 3-[(3S)-1-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]piperidin-3-yl]propanoic acid

3-[(3S)-1-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]piperidin-3-yl]propanoic acid (PubChem CID 124700551) has the molecular formula C18H23NO4 and a molecular weight of 317.38 g/mol. Its IUPAC name is 3-[(3S)-1-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[(3S)-1-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]piperidin-3-yl]propanoic acid
PubChem CID124700551
Molecular FormulaC18H23NO4
Molecular Weight317.38 g/mol
Exact Mass317.16
IUPAC Name3-[(3S)-1-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]piperidin-3-yl]propanoic acid
SMILESO=C(O)CC[C@@H]1CCCN(C(=O)[C@@H]2CCOc3ccccc32)C1
InChIInChI=1S/C18H23NO4/c20-17(21)8-7-13-4-3-10-19(12-13)18(22)15-9-11-23-16-6-2-1-5-14(15)16/h1-2,5-6,13,15H,3-4,7-12H2,(H,20,21)/t13-,15+/m0/s1
InChIKeyHKAWESNXISVKOE-DZGCQCFKSA-N
XLogP2.66
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(3S)-1-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]piperidin-3-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dihydro-2H-chromen-4-yl-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 63709581
3,4-dihydro-2H-chromen-4-yl-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115746703
(3R)-1-(3,4-dihydro-2H-chromene-4-carbonyl)piperidine-3-carboxylic acid
CID 81127945
(3S)-1-(3,4-dihydro-2H-chromene-4-carbonyl)piperidine-3-carboxylic acid
CID 81120261
3-[(3R)-1-[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]piperidin-3-yl]propanoic acid
CID 125118153
3-[(3R)-1-[(3S)-2,3-dihydro-1-benzothiophene-3-carbonyl]piperidin-3-yl]propanoic acid
CID 124701856
[(3R)-3-aminopyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 81468969
[3-(aminomethyl)pyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 55228016
2-[(2S)-4-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]morpholin-2-yl]acetic acid
CID 125133990
[(4R)-3,4-dihydro-2H-chromen-4-yl]-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124556473
2-[1-(3,4-dihydro-2H-chromene-4-carbonyl)pyrrolidin-2-yl]acetic acid
CID 63709189
[4-(bromomethyl)piperidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 80678666

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[(3S)-1-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]piperidin-3-yl]propanoic acid (CID 124700551) is 3-[(3S)-1-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[(3S)-1-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[(3S)-1-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]piperidin-3-yl]propanoic acid is O=C(O)CC[C@@H]1CCCN(C(=O)[C@@H]2CCOc3ccccc32)C1.
What is the InChIKey of 3-[(3S)-1-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]piperidin-3-yl]propanoic acid?
The InChIKey is HKAWESNXISVKOE-DZGCQCFKSA-N. The full InChI is InChI=1S/C18H23NO4/c20-17(21)8-7-13-4-3-10-19(12-13)18(22)15-9-11-23-16-6-2-1-5-14(15)16/h1-2,5-6,13,15H,3-4,7-12H2,(H,20,21)/t13-,15+/m0/s1.
What are the key properties of 3-[(3S)-1-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]piperidin-3-yl]propanoic acid?
3-[(3S)-1-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]piperidin-3-yl]propanoic acid has a molecular weight of 317.38 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]piperidin-3-yl]propanoic acid is sourced from PubChem (CID 124700551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).