(2S)-2-[(2-chlorofuran-3-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid

C11H10ClN3O4 — CID 106683292

IUPAC(2S)-2-[(2-chlorofuran-3-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
SMILESO=C(N[C@@H](Cc1cnc[nH]1)C(=O)O)c1ccoc1Cl
InChIInChI=1S/C11H10ClN3O4/c12-9-7(1-2-19-9)10(16)15-8(11(17)18)3-6-4-13-5-14-6/h1-2,4-5,8H,3H2,(H,13,14)(H,15,16)(H,17,18)/t8-/m0/s1
InChIKeyATOGGFQWNGDZBK-QMMMGPOBSA-N
MW283.67 g/mol
LogP1.08
Rot. Bonds5

About (2S)-2-[(2-chlorofuran-3-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid

(2S)-2-[(2-chlorofuran-3-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid (PubChem CID 106683292) has the molecular formula C11H10ClN3O4 and a molecular weight of 283.67 g/mol. Its IUPAC name is (2S)-2-[(2-chlorofuran-3-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-chlorofuran-3-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
PubChem CID106683292
Molecular FormulaC11H10ClN3O4
Molecular Weight283.67 g/mol
Exact Mass283.04
IUPAC Name(2S)-2-[(2-chlorofuran-3-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
SMILESO=C(N[C@@H](Cc1cnc[nH]1)C(=O)O)c1ccoc1Cl
InChIInChI=1S/C11H10ClN3O4/c12-9-7(1-2-19-9)10(16)15-8(11(17)18)3-6-4-13-5-14-6/h1-2,4-5,8H,3H2,(H,13,14)(H,15,16)(H,17,18)/t8-/m0/s1
InChIKeyATOGGFQWNGDZBK-QMMMGPOBSA-N
XLogP1.08
TPSA108.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.67
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chloropyridine-4-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 66462995
2-(furan-2-carbonylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 16774090
2-[(4-chloro-2-hydroxybenzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 43100089
(2R)-2-[(3-chloro-2-fluorobenzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 104894207
(2R)-3-(1H-imidazol-5-yl)-2-[(2-methylbenzoyl)amino]propanoic acid
CID 30047772
(2S)-2-(carbonochloridoylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 175906172
3-(1H-imidazol-5-yl)-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid
CID 16774910
(2R)-2-[(5-chlorothiophene-2-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 93306133
(2S)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 62829195
2-[(3-chlorobenzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 16773784
2-[(4-hydroxybenzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 43184154
3-(1H-imidazol-5-yl)-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 104772661

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-chlorofuran-3-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid?
The IUPAC name of (2S)-2-[(2-chlorofuran-3-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid (CID 106683292) is (2S)-2-[(2-chlorofuran-3-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid.
What is the SMILES notation for (2S)-2-[(2-chlorofuran-3-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid?
The canonical SMILES for (2S)-2-[(2-chlorofuran-3-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid is O=C(N[C@@H](Cc1cnc[nH]1)C(=O)O)c1ccoc1Cl.
What is the InChIKey of (2S)-2-[(2-chlorofuran-3-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid?
The InChIKey is ATOGGFQWNGDZBK-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H10ClN3O4/c12-9-7(1-2-19-9)10(16)15-8(11(17)18)3-6-4-13-5-14-6/h1-2,4-5,8H,3H2,(H,13,14)(H,15,16)(H,17,18)/t8-/m0/s1.
What are the key properties of (2S)-2-[(2-chlorofuran-3-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid?
(2S)-2-[(2-chlorofuran-3-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid has a molecular weight of 283.67 g/mol, XLogP of 1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-chlorofuran-3-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid is sourced from PubChem (CID 106683292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).