(2R)-2-[[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]amino]-4-methoxybutanoic acid

C15H19NO5 — CID 124556456

IUPAC(2R)-2-[[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]amino]-4-methoxybutanoic acid
SMILESCOCC[C@@H](NC(=O)[C@@H]1CCOc2ccccc21)C(=O)O
InChIInChI=1S/C15H19NO5/c1-20-8-7-12(15(18)19)16-14(17)11-6-9-21-13-5-3-2-4-10(11)13/h2-5,11-12H,6-9H2,1H3,(H,16,17)(H,18,19)/t11-,12-/m1/s1
InChIKeySINVMIZPOLOBBZ-VXGBXAGGSA-N
MW293.32 g/mol
LogP1.16
Rot. Bonds6

About (2R)-2-[[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]amino]-4-methoxybutanoic acid

(2R)-2-[[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]amino]-4-methoxybutanoic acid (PubChem CID 124556456) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is (2R)-2-[[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]amino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]amino]-4-methoxybutanoic acid
PubChem CID124556456
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name(2R)-2-[[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]amino]-4-methoxybutanoic acid
SMILESCOCC[C@@H](NC(=O)[C@@H]1CCOc2ccccc21)C(=O)O
InChIInChI=1S/C15H19NO5/c1-20-8-7-12(15(18)19)16-14(17)11-6-9-21-13-5-3-2-4-10(11)13/h2-5,11-12H,6-9H2,1H3,(H,16,17)(H,18,19)/t11-,12-/m1/s1
InChIKeySINVMIZPOLOBBZ-VXGBXAGGSA-N
XLogP1.16
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]amino]-4-methoxybutanoic 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

(E)-2-(3,4-dihydro-2H-chromene-4-carbonylamino)hex-4-enoic acid
CID 120693025
(3S)-3-[[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]amino]butanoic acid
CID 97211252
(2R)-3-[[(4S)-3,4-dihydro-2H-chromene-4-carbonyl]amino]-2-methylpropanoic acid
CID 124556466
N-(1-phenylethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 110648022
2-[(5-bromo-2,3-dihydro-1-benzofuran-3-carbonyl)amino]-4-methoxybutanoic acid
CID 120702310
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 79246427
(2S)-3-(3,4-dihydro-2H-chromene-4-carbonylamino)-2-hydroxypropanoic acid
CID 107833282
N-(1-cyanoethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 55248313
2-[(3,4-dihydro-2H-chromene-4-carbonylamino)methyl]-3-methylbutanoic acid
CID 65220663
(3S)-3-[[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 124695587
2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)pentanoic acid
CID 62366276
N-[(2S)-2-hydroxypropyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 83030362

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]amino]-4-methoxybutanoic acid?
The IUPAC name of (2R)-2-[[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]amino]-4-methoxybutanoic acid (CID 124556456) is (2R)-2-[[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]amino]-4-methoxybutanoic acid.
What is the SMILES notation for (2R)-2-[[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]amino]-4-methoxybutanoic acid?
The canonical SMILES for (2R)-2-[[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]amino]-4-methoxybutanoic acid is COCC[C@@H](NC(=O)[C@@H]1CCOc2ccccc21)C(=O)O.
What is the InChIKey of (2R)-2-[[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]amino]-4-methoxybutanoic acid?
The InChIKey is SINVMIZPOLOBBZ-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H19NO5/c1-20-8-7-12(15(18)19)16-14(17)11-6-9-21-13-5-3-2-4-10(11)13/h2-5,11-12H,6-9H2,1H3,(H,16,17)(H,18,19)/t11-,12-/m1/s1.
What are the key properties of (2R)-2-[[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]amino]-4-methoxybutanoic acid?
(2R)-2-[[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]amino]-4-methoxybutanoic acid has a molecular weight of 293.32 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]amino]-4-methoxybutanoic acid is sourced from PubChem (CID 124556456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).