(2R)-2-[(4-aminooxolane-3-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid

C11H16N4O4 — CID 104894520

IUPAC(2R)-2-[(4-aminooxolane-3-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
SMILESNC1COCC1C(=O)N[C@H](Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C11H16N4O4/c12-8-4-19-3-7(8)10(16)15-9(11(17)18)1-6-2-13-5-14-6/h2,5,7-9H,1,3-4,12H2,(H,13,14)(H,15,16)(H,17,18)/t7?,8?,9-/m1/s1
InChIKeyUWDMREXPQXTOJO-AMDVSUOASA-N
MW268.27 g/mol
LogP-1.50
Rot. Bonds5

About (2R)-2-[(4-aminooxolane-3-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid

(2R)-2-[(4-aminooxolane-3-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid (PubChem CID 104894520) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is (2R)-2-[(4-aminooxolane-3-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-aminooxolane-3-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
PubChem CID104894520
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name(2R)-2-[(4-aminooxolane-3-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
SMILESNC1COCC1C(=O)N[C@H](Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C11H16N4O4/c12-8-4-19-3-7(8)10(16)15-9(11(17)18)1-6-2-13-5-14-6/h2,5,7-9H,1,3-4,12H2,(H,13,14)(H,15,16)(H,17,18)/t7?,8?,9-/m1/s1
InChIKeyUWDMREXPQXTOJO-AMDVSUOASA-N
XLogP-1.50
TPSA130.33 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-1.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(4-aminooxolane-3-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 66236866
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3-(1H-imidazol-5-yl)-2-[(2-methylcyclopentanecarbonyl)amino]propanoic acid
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(2R)-2-(cycloheptanecarbonylamino)-3-(1H-imidazol-5-yl)propanoic acid
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2-[(3-aminocyclohexanecarbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
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3-(1H-imidazol-5-yl)-2-[(3-methylpyrrolidine-2-carbonyl)amino]propanoic acid
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(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoic acid
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(2S)-2-(carbonochloridoylamino)-3-(1H-imidazol-5-yl)propanoic acid
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2-[(2-amino-2-ethylbutanoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
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(2S)-3-(1H-imidazol-5-yl)-2-[(5-oxopiperazine-2-carbonyl)amino]propanoic acid
CID 107435629
3-(1H-imidazol-5-yl)-2-(piperidine-3-carbonylamino)propanoic acid
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-aminooxolane-3-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid?
The IUPAC name of (2R)-2-[(4-aminooxolane-3-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid (CID 104894520) is (2R)-2-[(4-aminooxolane-3-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid.
What is the SMILES notation for (2R)-2-[(4-aminooxolane-3-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid?
The canonical SMILES for (2R)-2-[(4-aminooxolane-3-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid is NC1COCC1C(=O)N[C@H](Cc1cnc[nH]1)C(=O)O.
What is the InChIKey of (2R)-2-[(4-aminooxolane-3-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid?
The InChIKey is UWDMREXPQXTOJO-AMDVSUOASA-N. The full InChI is InChI=1S/C11H16N4O4/c12-8-4-19-3-7(8)10(16)15-9(11(17)18)1-6-2-13-5-14-6/h2,5,7-9H,1,3-4,12H2,(H,13,14)(H,15,16)(H,17,18)/t7?,8?,9-/m1/s1.
What are the key properties of (2R)-2-[(4-aminooxolane-3-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid?
(2R)-2-[(4-aminooxolane-3-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid has a molecular weight of 268.27 g/mol, XLogP of -1.50, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-aminooxolane-3-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid is sourced from PubChem (CID 104894520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).