(2R,5S)-5-(1-imidazol-1-ylpropan-2-ylcarbamoyl)oxolane-2-carboxylic acid

C12H17N3O4 — CID 102944791

IUPAC(2R,5S)-5-(1-imidazol-1-ylpropan-2-ylcarbamoyl)oxolane-2-carboxylic acid
SMILESCC(Cn1ccnc1)NC(=O)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C12H17N3O4/c1-8(6-15-5-4-13-7-15)14-11(16)9-2-3-10(19-9)12(17)18/h4-5,7-10H,2-3,6H2,1H3,(H,14,16)(H,17,18)/t8?,9-,10+/m0/s1
InChIKeySUWQDXVKQRHUKT-CBMCFHRWSA-N
MW267.28 g/mol
LogP0.02
Rot. Bonds5

About (2R,5S)-5-(1-imidazol-1-ylpropan-2-ylcarbamoyl)oxolane-2-carboxylic acid

(2R,5S)-5-(1-imidazol-1-ylpropan-2-ylcarbamoyl)oxolane-2-carboxylic acid (PubChem CID 102944791) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is (2R,5S)-5-(1-imidazol-1-ylpropan-2-ylcarbamoyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-(1-imidazol-1-ylpropan-2-ylcarbamoyl)oxolane-2-carboxylic acid
PubChem CID102944791
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name(2R,5S)-5-(1-imidazol-1-ylpropan-2-ylcarbamoyl)oxolane-2-carboxylic acid
SMILESCC(Cn1ccnc1)NC(=O)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C12H17N3O4/c1-8(6-15-5-4-13-7-15)14-11(16)9-2-3-10(19-9)12(17)18/h4-5,7-10H,2-3,6H2,1H3,(H,14,16)(H,17,18)/t8?,9-,10+/m0/s1
InChIKeySUWQDXVKQRHUKT-CBMCFHRWSA-N
XLogP0.02
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-imidazol-1-ylpropan-2-yl)morpholine-2-carboxamide;dihydrochloride
CID 119856885
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CID 60847096
N-(1-imidazol-1-ylpropan-2-yl)piperidine-3-carboxamide
CID 43695432
N-(1-imidazol-1-ylpropan-2-yl)pyrrolidine-2-carboxamide
CID 43695426
2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoacetic acid
CID 61480681
(2R,6S)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-2,6-dimethylmorpholine-4-carboxamide
CID 100561408
N-(1-imidazol-1-ylpropan-2-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 51079761
3-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54957826
5-(1-cyclopropylpropan-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102688559
(2R,3S)-N-(1-imidazol-1-ylpropan-2-yl)-2-methylmorpholine-3-carboxamide
CID 120939612
2-amino-N-(1-imidazol-1-ylpropan-2-yl)propanamide
CID 43695457
(2R,5S)-5-(1-methoxypropan-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102944312

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-(1-imidazol-1-ylpropan-2-ylcarbamoyl)oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-(1-imidazol-1-ylpropan-2-ylcarbamoyl)oxolane-2-carboxylic acid (CID 102944791) is (2R,5S)-5-(1-imidazol-1-ylpropan-2-ylcarbamoyl)oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-(1-imidazol-1-ylpropan-2-ylcarbamoyl)oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-(1-imidazol-1-ylpropan-2-ylcarbamoyl)oxolane-2-carboxylic acid is CC(Cn1ccnc1)NC(=O)[C@@H]1CC[C@H](C(=O)O)O1.
What is the InChIKey of (2R,5S)-5-(1-imidazol-1-ylpropan-2-ylcarbamoyl)oxolane-2-carboxylic acid?
The InChIKey is SUWQDXVKQRHUKT-CBMCFHRWSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-8(6-15-5-4-13-7-15)14-11(16)9-2-3-10(19-9)12(17)18/h4-5,7-10H,2-3,6H2,1H3,(H,14,16)(H,17,18)/t8?,9-,10+/m0/s1.
What are the key properties of (2R,5S)-5-(1-imidazol-1-ylpropan-2-ylcarbamoyl)oxolane-2-carboxylic acid?
(2R,5S)-5-(1-imidazol-1-ylpropan-2-ylcarbamoyl)oxolane-2-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-(1-imidazol-1-ylpropan-2-ylcarbamoyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 102944791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).