(2R)-3-(2H-chromene-3-carbonylamino)-2-methylpropanoic acid

C14H15NO4 — CID 124689247

IUPAC(2R)-3-(2H-chromene-3-carbonylamino)-2-methylpropanoic acid
SMILESC[C@H](CNC(=O)C1=Cc2ccccc2OC1)C(=O)O
InChIInChI=1S/C14H15NO4/c1-9(14(17)18)7-15-13(16)11-6-10-4-2-3-5-12(10)19-8-11/h2-6,9H,7-8H2,1H3,(H,15,16)(H,17,18)/t9-/m1/s1
InChIKeySGBNHBJVJNFYQT-SECBINFHSA-N
MW261.28 g/mol
LogP1.30
Rot. Bonds4

About (2R)-3-(2H-chromene-3-carbonylamino)-2-methylpropanoic acid

(2R)-3-(2H-chromene-3-carbonylamino)-2-methylpropanoic acid (PubChem CID 124689247) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is (2R)-3-(2H-chromene-3-carbonylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name(2R)-3-(2H-chromene-3-carbonylamino)-2-methylpropanoic acid
PubChem CID124689247
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name(2R)-3-(2H-chromene-3-carbonylamino)-2-methylpropanoic acid
SMILESC[C@H](CNC(=O)C1=Cc2ccccc2OC1)C(=O)O
InChIInChI=1S/C14H15NO4/c1-9(14(17)18)7-15-13(16)11-6-10-4-2-3-5-12(10)19-8-11/h2-6,9H,7-8H2,1H3,(H,15,16)(H,17,18)/t9-/m1/s1
InChIKeySGBNHBJVJNFYQT-SECBINFHSA-N
XLogP1.30
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxybutyl)-2H-chromene-3-carboxamide
CID 111429331
N-(3-hydroxy-2,2,4-trimethylpentyl)-2H-chromene-3-carboxamide
CID 109381132
N-(4-hydroxy-2,2-dimethylpentyl)-2H-chromene-3-carboxamide
CID 111520105
N-[(2S)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-2H-chromene-3-carboxamide
CID 96570760
3-(2H-chromene-3-carbonylamino)butanoic acid
CID 119220849
N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-2H-chromene-3-carboxamide
CID 124589802
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2H-chromene-3-carboxamide
CID 111519728
6-chloro-N-[(2S)-2-hydroxypropyl]-2H-chromene-3-carboxamide
CID 83059499
benzyl 2-(2H-chromene-3-carbonylamino)acetate
CID 26646466
N-[4-(2-methylpropanoylamino)phenyl]-2H-chromene-3-carboxamide
CID 26782775
2-(2H-chromene-3-carbonylamino)-2-cyclopropylacetic acid
CID 119213336
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2H-chromene-3-carboxamide
CID 26009670

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(2H-chromene-3-carbonylamino)-2-methylpropanoic acid?
The IUPAC name of (2R)-3-(2H-chromene-3-carbonylamino)-2-methylpropanoic acid (CID 124689247) is (2R)-3-(2H-chromene-3-carbonylamino)-2-methylpropanoic acid.
What is the SMILES notation for (2R)-3-(2H-chromene-3-carbonylamino)-2-methylpropanoic acid?
The canonical SMILES for (2R)-3-(2H-chromene-3-carbonylamino)-2-methylpropanoic acid is C[C@H](CNC(=O)C1=Cc2ccccc2OC1)C(=O)O.
What is the InChIKey of (2R)-3-(2H-chromene-3-carbonylamino)-2-methylpropanoic acid?
The InChIKey is SGBNHBJVJNFYQT-SECBINFHSA-N. The full InChI is InChI=1S/C14H15NO4/c1-9(14(17)18)7-15-13(16)11-6-10-4-2-3-5-12(10)19-8-11/h2-6,9H,7-8H2,1H3,(H,15,16)(H,17,18)/t9-/m1/s1.
What are the key properties of (2R)-3-(2H-chromene-3-carbonylamino)-2-methylpropanoic acid?
(2R)-3-(2H-chromene-3-carbonylamino)-2-methylpropanoic acid has a molecular weight of 261.28 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(2H-chromene-3-carbonylamino)-2-methylpropanoic acid is sourced from PubChem (CID 124689247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).