(2S)-2-(2,3-dihydrofuran-4-carbonylamino)propanoic acid

C8H11NO4 — CID 103791046

IUPAC(2S)-2-(2,3-dihydrofuran-4-carbonylamino)propanoic acid
SMILESC[C@H](NC(=O)C1=COCC1)C(=O)O
InChIInChI=1S/C8H11NO4/c1-5(8(11)12)9-7(10)6-2-3-13-4-6/h4-5H,2-3H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1
InChIKeyYGKHHEXHZQWFGM-YFKPBYRVSA-N
MW185.18 g/mol
LogP-0.12
Rot. Bonds3

About (2S)-2-(2,3-dihydrofuran-4-carbonylamino)propanoic acid

(2S)-2-(2,3-dihydrofuran-4-carbonylamino)propanoic acid (PubChem CID 103791046) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is (2S)-2-(2,3-dihydrofuran-4-carbonylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(2,3-dihydrofuran-4-carbonylamino)propanoic acid
PubChem CID103791046
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Name(2S)-2-(2,3-dihydrofuran-4-carbonylamino)propanoic acid
SMILESC[C@H](NC(=O)C1=COCC1)C(=O)O
InChIInChI=1S/C8H11NO4/c1-5(8(11)12)9-7(10)6-2-3-13-4-6/h4-5H,2-3H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1
InChIKeyYGKHHEXHZQWFGM-YFKPBYRVSA-N
XLogP-0.12
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(1-carboxyethylcarbamoyl)benzoyl]amino]propanoic acid
CID 4130949
(2R)-2-[[4-[[(1R)-1-carboxyethyl]carbamoyl]benzoyl]amino]propanoic acid
CID 40571784
(2R)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)propanoic acid
CID 7175693
(2R)-2-(1,2-oxazole-5-carbonylamino)propanoic acid
CID 28777798
(2S)-2-(furan-2-carbonylamino)propanoic acid
CID 792932
2-[(6-nitro-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]propanoic acid
CID 119225671
(2S)-2-[(6-nitro-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]propanoic acid
CID 119238479
(2R)-2-(2,3-dihydro-1,4-benzodioxine-5-carbonylamino)propanoic acid
CID 54991570
2-(2,3-dihydrofuran-4-carbonylamino)-2-methylpentanoic acid
CID 115730530
(2R)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 28777806
(2R)-2-[(5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]propanoic acid
CID 54990844
(2R)-2-[(5-bromo-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]propanoic acid
CID 119244146

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dihydrofuran-4-carbonylamino)propanoic acid?
The IUPAC name of (2S)-2-(2,3-dihydrofuran-4-carbonylamino)propanoic acid (CID 103791046) is (2S)-2-(2,3-dihydrofuran-4-carbonylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(2,3-dihydrofuran-4-carbonylamino)propanoic acid?
The canonical SMILES for (2S)-2-(2,3-dihydrofuran-4-carbonylamino)propanoic acid is C[C@H](NC(=O)C1=COCC1)C(=O)O.
What is the InChIKey of (2S)-2-(2,3-dihydrofuran-4-carbonylamino)propanoic acid?
The InChIKey is YGKHHEXHZQWFGM-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H11NO4/c1-5(8(11)12)9-7(10)6-2-3-13-4-6/h4-5H,2-3H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1.
What are the key properties of (2S)-2-(2,3-dihydrofuran-4-carbonylamino)propanoic acid?
(2S)-2-(2,3-dihydrofuran-4-carbonylamino)propanoic acid has a molecular weight of 185.18 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dihydrofuran-4-carbonylamino)propanoic acid is sourced from PubChem (CID 103791046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).